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20772-12-7 | 2-Propanone, 1-bromo-3-phenyl-
CAS No: 20772-12-7 Catalog No: AG002J7R MDL No:MFCD11847200
Product Description
Catalog Number:
AG002J7R
Chemical Name:
2-Propanone, 1-bromo-3-phenyl-
CAS Number:
20772-12-7
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
MDL Number:
MFCD11847200
IUPAC Name:
1-bromo-3-phenylpropan-2-one
InChI:
InChI=1S/C9H9BrO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
CIFGSVFCDAILNK-UHFFFAOYSA-N
SMILES:
BrCC(=O)Cc1ccccc1
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.074g/mol
Monoisotopic Mass:
211.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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