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1303588-33-1 | 1,8-Naphthyridin-2(1H)-one, 7-chloro-3,4-dihydro-4,4-dimethyl-
CAS No: 1303588-33-1 Catalog No: AG000UAN MDL No:MFCD21607990
Product Description
Catalog Number:
AG000UAN
Chemical Name:
1,8-Naphthyridin-2(1H)-one, 7-chloro-3,4-dihydro-4,4-dimethyl-
CAS Number:
1303588-33-1
Molecular Formula:
C10H11ClN2O
Molecular Weight:
210.6601
MDL Number:
MFCD21607990
IUPAC Name:
7-chloro-4,4-dimethyl-1,3-dihydro-1,8-naphthyridin-2-one
InChI:
InChI=1S/C10H11ClN2O/c1-10(2)5-8(14)13-9-6(10)3-4-7(11)12-9/h3-4H,5H2,1-2H3,(H,12,13,14)
InChI Key:
ZWMNQFUHFVYYJJ-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)c2c(N1)nc(cc2)Cl
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.661g/mol
Monoisotopic Mass:
210.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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