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Home > Bromides > 1233055-24-7
1233055-24-7 | 2-Propenoic acid, 3-(4-bromo-2-chlorophenyl)-
CAS No: 1233055-24-7 Catalog No: AG000KAJ MDL No:MFCD06797907
Product Description
Catalog Number:
AG000KAJ
Chemical Name:
2-Propenoic acid, 3-(4-bromo-2-chlorophenyl)-
CAS Number:
1233055-24-7
Molecular Formula:
C9H6BrClO2
Molecular Weight:
261.4997
MDL Number:
MFCD06797907
IUPAC Name:
(E)-3-(4-bromo-2-chlorophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H6BrClO2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChI Key:
IQASDWBWCLYMJB-DUXPYHPUSA-N
SMILES:
OC(=O)C=Cc1ccc(cc1Cl)Br
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
259.924g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.499g/mol
Monoisotopic Mass:
259.924g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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