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1451-83-8 | 1-Propanone, 2-bromo-1-(3-methylphenyl)-
CAS No: 1451-83-8 Catalog No: AG001KKF MDL No:MFCD12031565
Product Description
Catalog Number:
AG001KKF
Chemical Name:
1-Propanone, 2-bromo-1-(3-methylphenyl)-
CAS Number:
1451-83-8
Molecular Formula:
C10H11BrO
Molecular Weight:
227.0977
MDL Number:
MFCD12031565
IUPAC Name:
2-bromo-1-(3-methylphenyl)propan-1-one
InChI:
InChI=1S/C10H11BrO/c1-7-4-3-5-9(6-7)10(12)8(2)11/h3-6,8H,1-2H3
InChI Key:
QGGNDYQVUDZPJB-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(=O)C(Br)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.101g/mol
Monoisotopic Mass:
225.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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