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1260859-62-8 | 5-Pyrimidinecarboxylic acid, 4-bromo-, methyl ester
CAS No: 1260859-62-8 Catalog No: AG000RGZ MDL No:MFCD12964055
Product Description
Catalog Number:
AG000RGZ
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-bromo-, methyl ester
CAS Number:
1260859-62-8
Molecular Formula:
C6H5BrN2O2
Molecular Weight:
217.0201
MDL Number:
MFCD12964055
IUPAC Name:
methyl 4-bromopyrimidine-5-carboxylate
InChI:
InChI=1S/C6H5BrN2O2/c1-11-6(10)4-2-8-3-9-5(4)7/h2-3H,1H3
InChI Key:
CNPCODTWPMGPAI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncnc1Br
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.953g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.022g/mol
Monoisotopic Mass:
215.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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