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16532-79-9 | 4-Bromophenylacetonitrile
CAS No: 16532-79-9 Catalog No: AG001W35 MDL No:MFCD00001916
Product Description
Catalog Number:
AG001W35
Chemical Name:
4-Bromophenylacetonitrile
CAS Number:
16532-79-9
Molecular Formula:
C8H6BrN
Molecular Weight:
196.0439
MDL Number:
MFCD00001916
IUPAC Name:
2-(4-bromophenyl)acetonitrile
InChI:
InChI=1S/C8H6BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
InChI Key:
MFHFWRBXPQDZSA-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)Br
EC Number:
240-602-2
NSC Number:
84174
Properties
Complexity:
139
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:
2.5
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