Home Carboxys 2-(Chloromethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid

2-(Chloromethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid

CAS No.:
730976-58-6
Catalog Number:
AG00ICCR
Molecular Formula:
C10H7ClN2O3
Molecular Weight:
238.6272
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Product Description
Catalog Number:
AG00ICCR
Chemical Name:
2-(Chloromethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid
CAS Number:
730976-58-6
Molecular Formula:
C10H7ClN2O3
Molecular Weight:
238.6272
MDL Number:
MFCD04623511
IUPAC Name:
2-(chloromethyl)-4-oxo-3H-quinazoline-7-carboxylic acid
InChI:
InChI=1S/C10H7ClN2O3/c11-4-8-12-7-3-5(10(15)16)1-2-6(7)9(14)13-8/h1-3H,4H2,(H,15,16)(H,12,13,14)
InChI Key:
LRLKSPKVLXAACO-UHFFFAOYSA-N
SMILES:
ClCc1nc2cc(ccc2c(=O)[nH]1)C(=O)O
Properties
Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.015g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
238.627g/mol
Monoisotopic Mass:
238.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties