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IUPAC name:
2-chlorobenzonitrile

Inventory

EC number:
212-836-5
EC name:
2-chlorobenzonitrile
CAS number:
873-32-5
CAS number:
873-32-5
Synonyms
Names:
Benzonitrile, 2-chloro-
Identifier:
IUPAC name
2-chlorobenzonitrile
Identifier:
other: SMILES notation
ClC1=C(C=CC=C1)C#N
Identifier:
other: InChl
InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H AuxInfo=1/0/N:7,8,5,6,1,3,4,9,2/rA:9CNCCCCCCCl/rB:t1;s1;d+3;s3;s4;d-5;d-6s7;s4;/rC:4.0094,-1.554,0;4.0094,-.014,0;2.6775,-2.3216,0;1.3459,-1.554,0;2.6775,-3.8616,0;0,-2.3169,0;1.3319,-4.6245,0;0,-3.8569,0;1.3272,0,0;
2-chlorobenzonitrile

Molecular and structural information

Molecular formula:
C7H4ClN
Molecular weight:
137.566
SMILES notation:
Clc1ccccc1C#N
InChl:
InChI=1/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H
Structural formula:
Chemical structure

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