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1221288-22-7 | 5-Quinazolinecarboxylic acid, 2-chloro-, methyl ester
CAS No: 1221288-22-7 Catalog No: AG0016T7 MDL No:MFCD17016012
Product Description
Catalog Number:
AG0016T7
Chemical Name:
5-Quinazolinecarboxylic acid, 2-chloro-, methyl ester
CAS Number:
1221288-22-7
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
MDL Number:
MFCD17016012
IUPAC Name:
methyl 2-chloroquinazoline-5-carboxylate
InChI:
InChI=1S/C10H7ClN2O2/c1-15-9(14)6-3-2-4-8-7(6)5-12-10(11)13-8/h2-5H,1H3
InChI Key:
ZUJJYZRHYQSTIO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1cnc(n2)Cl
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.628g/mol
Monoisotopic Mass:
222.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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