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Home > Bromides > 1507091-95-3
1507091-95-3 | 1,3-Propanediol, 2-(2-bromophenyl)-
CAS No: 1507091-95-3 Catalog No: AG01EU8A MDL No:
Product Description
Catalog Number:
AG01EU8A
Chemical Name:
1,3-Propanediol, 2-(2-bromophenyl)-
CAS Number:
1507091-95-3
Molecular Formula:
C9H11BrO2
Molecular Weight:
231.0864
IUPAC Name:
2-(2-bromophenyl)propane-1,3-diol
InChI:
InChI=1S/C9H11BrO2/c10-9-4-2-1-3-8(9)7(5-11)6-12/h1-4,7,11-12H,5-6H2
InChI Key:
DRALTOMIFDUMSL-UHFFFAOYSA-N
SMILES:
OCC(c1ccccc1Br)CO
Properties
Complexity:
126
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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