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192709-34-5 | 2-Butanone, 3-bromo-1-chloro-4-phenyl-
CAS No: 192709-34-5 Catalog No: AG002G97 MDL No:
Product Description
Catalog Number:
AG002G97
Chemical Name:
2-Butanone, 3-bromo-1-chloro-4-phenyl-
CAS Number:
192709-34-5
Molecular Formula:
C10H10BrClO
Molecular Weight:
261.5428
IUPAC Name:
3-bromo-1-chloro-4-phenylbutan-2-one
InChI:
InChI=1S/C10H10BrClO/c11-9(10(13)7-12)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI Key:
KSFDXQWRXKHQKD-UHFFFAOYSA-N
SMILES:
ClCC(=O)C(Cc1ccccc1)Br
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.96g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.543g/mol
Monoisotopic Mass:
259.96g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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