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158631-60-8 | 2(1H)-Cinnolineacetic acid, 8-chloro-3,4-dihydro-4-oxo-, hydrochloride (1:1)
CAS No: 158631-60-8 Catalog No: AG001QDN MDL No:
Product Description
Catalog Number:
AG001QDN
Chemical Name:
2(1H)-Cinnolineacetic acid, 8-chloro-3,4-dihydro-4-oxo-, hydrochloride (1:1)
CAS Number:
158631-60-8
Molecular Formula:
C10H10Cl2N2O3
Molecular Weight:
277.1040
IUPAC Name:
2-(8-chloro-4-oxo-1,3-dihydrocinnolin-2-yl)acetic acid;hydrochloride
InChI:
InChI=1S/C10H9ClN2O3.ClH/c11-7-3-1-2-6-8(14)4-13(5-9(15)16)12-10(6)7;/h1-3,12H,4-5H2,(H,15,16);1H
InChI Key:
JZJSRBKUSRRVMP-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CC(=O)c2c(N1)c(Cl)ccc2.Cl
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.007g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
277.101g/mol
Monoisotopic Mass:
276.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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