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6-bromoquinazoline-4-carboxylic acid

6-bromoquinazoline-4-carboxylic acid

CAS: 769916-07-6

Formula: C9H5BrN2O2

SMILES: OC(=O)C1=C2C=C(Br)C=CC2=NC=N1

IUPAC: 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)

Composition: C (42.72%), H (1.99%), Br (31.58%), N (11.07%), O (12.64%)

Molar Mass: 253.055

Atom Count: 19

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 251.95344
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey KTYXRDCYHWITRG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.31
Topological Polar Surface Area 63.08
Polarizability 21.24
Ring Count 2
Rotatable Bond Count 1

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