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179260-95-8 | 4-Pyrimidinecarboxylic acid, 5-bromo-2-phenyl-
CAS No: 179260-95-8 Catalog No: AG0026W6 MDL No:MFCD11870594
Product Description
Catalog Number:
AG0026W6
Chemical Name:
4-Pyrimidinecarboxylic acid, 5-bromo-2-phenyl-
CAS Number:
179260-95-8
Molecular Formula:
C11H7BrN2O2
Molecular Weight:
279.0895
MDL Number:
MFCD11870594
IUPAC Name:
5-bromo-2-phenylpyrimidine-4-carboxylic acid
InChI:
InChI=1S/C11H7BrN2O2/c12-8-6-13-10(14-9(8)11(15)16)7-4-2-1-3-5-7/h1-6H,(H,15,16)
InChI Key:
LWLDGZLPOMWNPX-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(ncc1Br)c1ccccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.969g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.093g/mol
Monoisotopic Mass:
277.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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