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758710-85-9 | 6-Chloro-4-oxo-1,4-dihydroquinazoline-7-carboxylic acid
CAS No: 758710-85-9 Catalog No: AG0059UY MDL No:MFCD23135619
Product Description
Catalog Number:
AG0059UY
Chemical Name:
6-Chloro-4-oxo-1,4-dihydroquinazoline-7-carboxylic acid
CAS Number:
758710-85-9
Molecular Formula:
C9H5ClN2O3
Molecular Weight:
224.6006
MDL Number:
MFCD23135619
IUPAC Name:
6-chloro-4-oxo-3H-quinazoline-7-carboxylic acid
InChI:
InChI=1S/C9H5ClN2O3/c10-6-1-5-7(2-4(6)9(14)15)11-3-12-8(5)13/h1-3H,(H,14,15)(H,11,12,13)
InChI Key:
LXHRGPJUDAYAOL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2[nH]cnc(=O)c2cc1Cl
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.999g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.6g/mol
Monoisotopic Mass:
223.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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