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769916-07-6 | 6-Bromoquinazoline-4-carboxylic acid
CAS No: 769916-07-6 Catalog No: AG005F8Y MDL No:MFCD11518956
Product Description
Catalog Number:
AG005F8Y
Chemical Name:
6-Bromoquinazoline-4-carboxylic acid
CAS Number:
769916-07-6
Molecular Formula:
C9H5BrN2O2
Molecular Weight:
253.0522
MDL Number:
MFCD11518956
IUPAC Name:
6-bromoquinazoline-4-carboxylic acid
InChI:
InChI=1S/C9H5BrN2O2/c10-5-1-2-7-6(3-5)8(9(13)14)12-4-11-7/h1-4H,(H,13,14)
InChI Key:
KTYXRDCYHWITRG-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(ncn2)C(=O)O
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:
2.1
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