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1823381-34-5

1823381-34-5 | 8-Quinazolinecarboxylic acid, 5-bromo-

CAS No: 1823381-34-5 Catalog No: AG0023NR MDL No:

Product Description

Catalog Number:
AG0023NR
Chemical Name:
8-Quinazolinecarboxylic acid, 5-bromo-
CAS Number:
1823381-34-5
Molecular Formula:
C9H5BrN2O2
Molecular Weight:
253.0522
IUPAC Name:
5-bromoquinazoline-8-carboxylic acid
InChI:
InChI=1S/C9H5BrN2O2/c10-7-2-1-5(9(13)14)8-6(7)3-11-4-12-8/h1-4H,(H,13,14)
InChI Key:
OWGIEJGZMDLENC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c2c1ncnc2)Br

Properties

Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.953g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.055g/mol
Monoisotopic Mass:
251.953g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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