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29636-75-7 | 1-Propanone, 3-bromo-1-phenyl-
CAS No: 29636-75-7 Catalog No: AG002YYQ MDL No:MFCD01428723
Product Description
Catalog Number:
AG002YYQ
Chemical Name:
1-Propanone, 3-bromo-1-phenyl-
CAS Number:
29636-75-7
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
MDL Number:
MFCD01428723
IUPAC Name:
3-bromo-1-phenylpropan-1-one
InChI:
InChI=1S/C9H9BrO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
RTXGOKBYAHABBR-UHFFFAOYSA-N
SMILES:
BrCCC(=O)c1ccccc1
EC Number:
249-739-2
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:
2.4
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