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88562-26-9 | Benzeneacetonitrile,2-bromo-a-oxo-
CAS No: 88562-26-9 Catalog No: AG004BTM MDL No:
Product Description
Catalog Number:
AG004BTM
Chemical Name:
Benzeneacetonitrile,2-bromo-a-oxo-
CAS Number:
88562-26-9
Molecular Formula:
C8H4BrNO
Molecular Weight:
210.0275
IUPAC Name:
2-bromobenzoyl cyanide
InChI:
InChI=1S/C8H4BrNO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4H
InChI Key:
ILFJVILOZNSZQQ-UHFFFAOYSA-N
SMILES:
N#CC(=O)c1ccccc1Br
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.948g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.03g/mol
Monoisotopic Mass:
208.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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