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Home > Bromides > 1002752-55-7
1002752-55-7 | Benzenepropanoic acid, α-(3-bromophenyl)-4-chloro-, (αS)-
CAS No: 1002752-55-7 Catalog No: AG0001G0 MDL No:MFCD13152338
Product Description
Catalog Number:
AG0001G0
Chemical Name:
Benzenepropanoic acid, α-(3-bromophenyl)-4-chloro-, (αS)-
CAS Number:
1002752-55-7
Molecular Formula:
C15H12BrClO2
Molecular Weight:
339.6116
MDL Number:
MFCD13152338
IUPAC Name:
(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)propanoic acid
InChI:
InChI=1S/C15H12BrClO2/c16-12-3-1-2-11(9-12)14(15(18)19)8-10-4-6-13(17)7-5-10/h1-7,9,14H,8H2,(H,18,19)/t14-/m0/s1
InChI Key:
HMACGKZYWDFEKR-AWEZNQCLSA-N
SMILES:
OC(=O)[C@H](c1cccc(c1)Br)Cc1ccc(cc1)Cl
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
337.971g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.613g/mol
Monoisotopic Mass:
337.971g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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