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Home > Bromides > 1141478-88-7
1141478-88-7 | Benzenepropanoic acid, 4-bromo-α-hydroxy-, (αR)-
CAS No: 1141478-88-7 Catalog No: AG000AO2 MDL No:MFCD28977374
Product Description
Catalog Number:
AG000AO2
Chemical Name:
Benzenepropanoic acid, 4-bromo-α-hydroxy-, (αR)-
CAS Number:
1141478-88-7
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
MDL Number:
MFCD28977374
IUPAC Name:
(2R)-3-(4-bromophenyl)-2-hydroxypropanoic acid
InChI:
InChI=1S/C9H9BrO3/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,11H,5H2,(H,12,13)/t8-/m1/s1
InChI Key:
YVPYVGILADXNJV-MRVPVSSYSA-N
SMILES:
O[C@@H](C(=O)O)Cc1ccc(cc1)Br
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
243.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.072g/mol
Monoisotopic Mass:
243.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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