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872088-04-5 | 1-(3-CHLOROMETHYLPHENYL)-2-PHENYLETHANONE
CAS No: 872088-04-5 Catalog No: AG004N2B MDL No:
Product Description
Catalog Number:
AG004N2B
Chemical Name:
1-(3-CHLOROMETHYLPHENYL)-2-PHENYLETHANONE
CAS Number:
872088-04-5
Molecular Formula:
C15H13ClO
Molecular Weight:
244.7161
IUPAC Name:
1-[3-(chloromethyl)phenyl]-2-phenylethanone
InChI:
InChI=1S/C15H13ClO/c16-11-13-7-4-8-14(9-13)15(17)10-12-5-2-1-3-6-12/h1-9H,10-11H2
InChI Key:
ZMMAFWHJLFTPKD-UHFFFAOYSA-N
SMILES:
ClCc1cccc(c1)C(=O)Cc1ccccc1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.065g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.718g/mol
Monoisotopic Mass:
244.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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