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31374-18-2 | 7-Chloro-4-hydroxyquinazoline
CAS No: 31374-18-2 Catalog No: AG003NEC MDL No:MFCD00115130
Product Description
Catalog Number:
AG003NEC
Chemical Name:
7-Chloro-4-hydroxyquinazoline
CAS Number:
31374-18-2
Molecular Formula:
C8H5ClN2O
Molecular Weight:
180.5911
MDL Number:
MFCD00115130
IUPAC Name:
7-chloro-3H-quinazolin-4-one
InChI:
InChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)
InChI Key:
PMLONMIODRHERC-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)[nH]cnc2=O
NSC Number:
44057
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:
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:
1.3
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