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942507-89-3 | 4-Chloro-7-quinazolinecarboxylic acid
CAS No: 942507-89-3 Catalog No: AG0036PL MDL No:MFCD08273932
Product Description
Catalog Number:
AG0036PL
Chemical Name:
4-Chloro-7-quinazolinecarboxylic acid
CAS Number:
942507-89-3
Molecular Formula:
C9H5ClN2O2
Molecular Weight:
208.6012
MDL Number:
MFCD08273932
IUPAC Name:
4-chloroquinazoline-7-carboxylic acid
InChI:
InChI=1S/C9H5ClN2O2/c10-8-6-2-1-5(9(13)14)3-7(6)11-4-12-8/h1-4H,(H,13,14)
InChI Key:
APWMYFRHUCIZII-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)ncnc2Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.601g/mol
Monoisotopic Mass:
208.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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