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EC number: 223-445-4 | CAS number: 3896-11-5
Reference substances
- IUPAC name:
- 2-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)-4-methylphenol
Inventory
- EC number:
- 223-445-4
- EC name:
- Bumetrizole
- CAS number:
- 3896-11-5
- CAS number:
- 3896-11-5
Synonyms
- Names:
- Phenol, 2-(5-chloro-2H-benzotriazol- 2-yl)-6-(1,1-dimethylethyl)-4-methyl-
- Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-methyl-
- TK 10048
- p-Cresol, 2-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)-
- Identifier:
- IUPAC name
- 2-(3’-tert-butyl-2’hydroxy-5’-methylphenyl)-5-chlorobenzotriazole
- Identifier:
- IUPAC name
- 2-tert-butyl-6-(5-chloro-2H-1,2,3-benzotriazol-2-yl)-4-methylphenol
- Identifier:
- other: Molecular formula
- C17H18ClN3O
- Identifier:
- other: SMILES notation
- Cc1cc(c(O)c(c1)C(C)(C)C)n2nc3ccc(Cl)cc3n2
- Identifier:
- other: InChl
- InChI=1/C17H18ClN3O/c1-10-7-12(17(2,3)4)16(22)15(8-10)21-19-13-6-5-11(18)9-14(13)20-21/h5-9,22H,1-4H3
- Identifier:
- other: InChl
- InChI=1S/C17H18ClN3O/c1-10-7-12(17(2,3)4)16(22)15(8-10)21-19-13-6-5-11(18)9-14(13)20-21/h5-9,22H,1-4H3 AuxInfo=1/0/N:16,19,20,21,17,12,14,6,13,11,18,9,7,8,2,5,15,22,3,4,1,10/E:(2,3,4)/rA:22NCNNCCCCCOCCCCCCCCCCCCl/rB:s1;s1;s1;s2;d+2;d-3;d-4s7;d-5;s5;s6;s7;s8;s9d-11;s9;s11;d-12;d-13s17;s15;s15;s15;s18;/rC:6.4745,-3.9963,0;7.9925,-3.9963,0;5.5279,-2.7385,0;5.5279,-5.254,0;8.8019,-2.6887,0;8.8019,-5.3785,0;4.0086,-3.249,0;4.0086,-4.7683,0;10.3335,-2.6887,0;7.9925,-1.3449,0;10.3335,-5.366,0;2.7012,-2.4657,0;2.7012,-5.5529,0;11.1056,-3.9963,0;11.1056,-1.3076,0;11.1056,-6.6985,0;1.3324,-3.249,0;1.3324,-4.7683,0;12.4507,-2.0922,0;9.7483,-.523,0;11.8653,0,0;0,-5.5529,0;
- 2-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)-4-methylphenol
Molecular and structural information
- Molecular formula:
- C17 H18 Cl N3 O
- Molecular weight:
- 316
- SMILES notation:
- CC1=CC(=C(O)C(=C1)N1N=C2C=CC(Cl)=CC2=N1)C(C)(C)C
- InChl:
- InChI=1S/C17H18ClN3O/c1-10-7-12(17(2,3)4)16(22)15(8-10)21-19-13-6-5-11(18)9-14(13)20-21/h5-9,22H,1-4H3
- Structural formula:
Related substances
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