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24999-51-7 | Benzeneacetonitrile, 3-bromo-α-oxo-
CAS No: 24999-51-7 Catalog No: AG002Q4G MDL No:MFCD06658370
Product Description
Catalog Number:
AG002Q4G
Chemical Name:
Benzeneacetonitrile, 3-bromo-α-oxo-
CAS Number:
24999-51-7
Molecular Formula:
C8H4BrNO
Molecular Weight:
210.0275
MDL Number:
MFCD06658370
IUPAC Name:
3-bromobenzoyl cyanide
InChI:
InChI=1S/C8H4BrNO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4H
InChI Key:
ZYKLXMMQMSIZBZ-UHFFFAOYSA-N
SMILES:
N#CC(=O)c1cccc(c1)Br
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:
2.9
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