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80099-94-1 | (4-chlorophenyl)-(6-chloropyridin-3-yl)methanone
CAS No: 80099-94-1 Catalog No: AG01DHPU MDL No:MFCD11521204
Product Description
Catalog Number:
AG01DHPU
Chemical Name:
(4-chlorophenyl)-(6-chloropyridin-3-yl)methanone
CAS Number:
80099-94-1
Molecular Formula:
C12H7Cl2NO
Molecular Weight:
252.0961
MDL Number:
MFCD11521204
IUPAC Name:
(4-chlorophenyl)-(6-chloropyridin-3-yl)methanone
InChI:
InChI=1S/C12H7Cl2NO/c13-10-4-1-8(2-5-10)12(16)9-3-6-11(14)15-7-9/h1-7H
InChI Key:
SHWBRLXYOYRCIM-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)c1ccc(nc1)Cl
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.99g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.094g/mol
Monoisotopic Mass:
250.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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