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87010-95-5 | 1-(4-BROMO-PHENYL)-2-CHLORO-PROPAN-1-ONE
CAS No: 87010-95-5 Catalog No: AG004NRD MDL No:MFCD04610438
Product Description
Catalog Number:
AG004NRD
Chemical Name:
1-(4-BROMO-PHENYL)-2-CHLORO-PROPAN-1-ONE
CAS Number:
87010-95-5
Molecular Formula:
C9H8BrClO
Molecular Weight:
247.5162
MDL Number:
MFCD04610438
IUPAC Name:
1-(4-bromophenyl)-2-chloropropan-1-one
InChI:
InChI=1S/C9H8BrClO/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6H,1H3
InChI Key:
XWLIUMZBOPOTCS-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1ccc(cc1)Br)Cl
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.945g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.516g/mol
Monoisotopic Mass:
245.945g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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