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876-75-5 | 8-chlorocinnolin-4(1h)-one
CAS No: 876-75-5 Catalog No: AG004KEV MDL No:
Product Description
Catalog Number:
AG004KEV
Chemical Name:
8-chlorocinnolin-4(1h)-one
CAS Number:
876-75-5
Molecular Formula:
C8H5ClN2O
Molecular Weight:
180.5911
IUPAC Name:
8-chloro-1H-cinnolin-4-one
InChI:
InChI=1S/C8H5ClN2O/c9-6-3-1-2-5-7(12)4-10-11-8(5)6/h1-4H,(H,11,12)
InChI Key:
GMYPULZDCCEDSA-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1[nH]ncc2=O
NSC Number:
114053
Properties
Complexity:
229
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:
3
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:
1.9
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