Home Nitriles 2-Bromophenylacetonitrile

2-Bromophenylacetonitrile

CAS No.:
19472-74-3
Catalog Number:
AG00336S
Molecular Formula:
C8H6BrN
Molecular Weight:
196.0439
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Product Description
Catalog Number:
AG00336S
Chemical Name:
2-Bromophenylacetonitrile
CAS Number:
19472-74-3
Molecular Formula:
C8H6BrN
Molecular Weight:
196.0439
MDL Number:
MFCD00001896
IUPAC Name:
2-(2-bromophenyl)acetonitrile
InChI:
InChI=1S/C8H6BrN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2
InChI Key:
BVCOJESIQPNOIF-UHFFFAOYSA-N
SMILES:
N#CCc1ccccc1Br
EC Number:
243-091-4
UNII:
S3GF4DI9A8
NSC Number:
338412
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.968g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.047g/mol
Monoisotopic Mass:
194.968g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties