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1806787-39-2 | 2(1H)-Pyridinone, 3-chloro-5-(difluoromethyl)-
CAS No: 1806787-39-2 Catalog No: AG00227H MDL No:
Product Description
Catalog Number:
AG00227H
Chemical Name:
2(1H)-Pyridinone, 3-chloro-5-(difluoromethyl)-
CAS Number:
1806787-39-2
Molecular Formula:
C6H4ClF2NO
Molecular Weight:
179.5519
IUPAC Name:
3-chloro-5-(difluoromethyl)-1H-pyridin-2-one
InChI:
InChI=1S/C6H4ClF2NO/c7-4-1-3(5(8)9)2-10-6(4)11/h1-2,5H,(H,10,11)
InChI Key:
YVGLIWQDLJDGPD-UHFFFAOYSA-N
SMILES:
FC(c1c[nH]c(=O)c(c1)Cl)F
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.995g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.551g/mol
Monoisotopic Mass:
178.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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