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Home > Bromides > 1263282-83-2
1263282-83-2 | Benzenehexanoic acid, 4-bromo-γ-oxo-
CAS No: 1263282-83-2 Catalog No: AG000SLH MDL No:
Product Description
Catalog Number:
AG000SLH
Chemical Name:
Benzenehexanoic acid, 4-bromo-γ-oxo-
CAS Number:
1263282-83-2
Molecular Formula:
C12H13BrO3
Molecular Weight:
285.1338
IUPAC Name:
6-(4-bromophenyl)-4-oxohexanoic acid
InChI:
InChI=1S/C12H13BrO3/c13-10-4-1-9(2-5-10)3-6-11(14)7-8-12(15)16/h1-2,4-5H,3,6-8H2,(H,15,16)
InChI Key:
WFQOANXIUFLILO-UHFFFAOYSA-N
SMILES:
O=C(CCc1ccc(cc1)Br)CCC(=O)O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.137g/mol
Monoisotopic Mass:
284.005g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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