Name: Name:4-(6-bromo-4-oxo-3,4-dihydroquinazolin-2-yl)butanoic acid
Brand: Angene
SKU: AG019NCB
Rating: 90 (10 reviews)

4-(6-bromo-4-oxo-3,4-dihydroquinazolin-2-yl)butanoic acid

CAS No.:

926193-31-9

Catalog Number:

AG019NCB

Molecular Formula:

C12H11BrN2O3

Molecular Weight:

311.1313

Catalog Number:

AG019NCB

Chemical Name:

4-(6-bromo-4-oxo-3,4-dihydroquinazolin-2-yl)butanoic acid

CAS Number:

926193-31-9

Molecular Formula:

C12H11BrN2O3

Molecular Weight:

311.1313

MDL Number:

MFCD09042596

IUPAC Name:

4-(6-bromo-4-oxo-3H-quinazolin-2-yl)butanoic acid

InChI:

InChI=1S/C12H11BrN2O3/c13-7-4-5-9-8(6-7)12(18)15-10(14-9)2-1-3-11(16)17/h4-6H,1-3H2,(H,16,17)(H,14,15,18)

InChI Key:

IIXLTMLFOFDVSV-UHFFFAOYSA-N

SMILES:

OC(=O)CCCc1nc2ccc(cc2c(=O)[nH]1)Br

Complexity:

384

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

309.995g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

311.135g/mol

Monoisotopic Mass:

309.995g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2