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16331-47-8 | Benzoyl bromide, 4-bromo-
CAS No: 16331-47-8 Catalog No: AG001U13 MDL No:
Product Description
Catalog Number:
AG001U13
Chemical Name:
Benzoyl bromide, 4-bromo-
CAS Number:
16331-47-8
Molecular Formula:
C7H4Br2O
Molecular Weight:
263.9141
IUPAC Name:
3-bromobenzoyl bromide
InChI:
InChI=1S/C7H4Br2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H
InChI Key:
PFABNMHNELCDLT-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)Br
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.861g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.916g/mol
Monoisotopic Mass:
261.863g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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