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141248-94-4 | 1,2-Propanediol, 3-bromo-2-phenyl-
CAS No: 141248-94-4 Catalog No: AG001G5Q MDL No:
Product Description
Catalog Number:
AG001G5Q
Chemical Name:
1,2-Propanediol, 3-bromo-2-phenyl-
CAS Number:
141248-94-4
Molecular Formula:
C9H11BrO2
Molecular Weight:
231.0864
IUPAC Name:
3-bromo-2-phenylpropane-1,2-diol
InChI:
InChI=1S/C9H11BrO2/c10-6-9(12,7-11)8-4-2-1-3-5-8/h1-5,11-12H,6-7H2
InChI Key:
ZYJRKWJJGDPXMF-UHFFFAOYSA-N
SMILES:
OCC(c1ccccc1)(CBr)O
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.994g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.089g/mol
Monoisotopic Mass:
229.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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