Name: Name:2-Quinazolinecarboxylic acid, 6-chloro-1,4-dihydro-4-oxo-
Brand: Angene
SKU: AG00I8R8
Rating: 90 (10 reviews)

2-Quinazolinecarboxylic acid, 6-chloro-1,4-dihydro-4-oxo-

CAS No.:

480451-49-8

Catalog Number:

AG00I8R8

Molecular Formula:

C9H5ClN2O3

Molecular Weight:

224.6006

Catalog Number:

AG00I8R8

Chemical Name:

2-Quinazolinecarboxylic acid, 6-chloro-1,4-dihydro-4-oxo-

CAS Number:

480451-49-8

Molecular Formula:

C9H5ClN2O3

Molecular Weight:

224.6006

MDL Number:

MFCD17926275

IUPAC Name:

6-chloro-4-oxo-3H-quinazoline-2-carboxylic acid

InChI:

InChI=1S/C9H5ClN2O3/c10-4-1-2-6-5(3-4)8(13)12-7(11-6)9(14)15/h1-3H,(H,14,15)(H,11,12,13)

InChI Key:

LHAAEYMCOXCPOK-UHFFFAOYSA-N

SMILES:

Clc1ccc2c(c1)c(=O)nc([nH]2)C(=O)O

Complexity:

342

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.999g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.6g/mol

Monoisotopic Mass:

223.999g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3