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101494-93-3 | 3(2H)-Cinnolinone, 7-chloro-
CAS No: 101494-93-3 Catalog No: AG0004M8 MDL No:
Product Description
Catalog Number:
AG0004M8
Chemical Name:
3(2H)-Cinnolinone, 7-chloro-
CAS Number:
101494-93-3
Molecular Formula:
C8H5ClN2O
Molecular Weight:
180.5911
IUPAC Name:
7-chloro-2H-cinnolin-3-one
InChI:
InChI=1S/C8H5ClN2O/c9-6-2-1-5-3-8(12)11-10-7(5)4-6/h1-4H,(H,11,12)
InChI Key:
XWBNQJIVYPOBNF-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)n[nH]c(=O)c2
NSC Number:
72288
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.009g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.591g/mol
Monoisotopic Mass:
180.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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