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746651-84-3 | 3-BROMO-2'-CYANOBENZOPHENONE
CAS No: 746651-84-3 Catalog No: AG005IHQ MDL No:
Product Description
Catalog Number:
AG005IHQ
Chemical Name:
3-BROMO-2'-CYANOBENZOPHENONE
CAS Number:
746651-84-3
Molecular Formula:
C14H8BrNO
Molecular Weight:
286.1234
IUPAC Name:
2-(3-bromobenzoyl)benzonitrile
InChI:
InChI=1S/C14H8BrNO/c15-12-6-3-5-10(8-12)14(17)13-7-2-1-4-11(13)9-16/h1-8H
InChI Key:
XFWDUJFMWPGAHQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C(=O)c1cccc(c1)Br
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.979g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.128g/mol
Monoisotopic Mass:
284.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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