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100707-39-9 | 4-Pyrimidinecarboxylic acid, 5-bromo-2-methyl-
CAS No: 100707-39-9 Catalog No: AG0002OX MDL No:MFCD00466678
Product Description
Catalog Number:
AG0002OX
Chemical Name:
4-Pyrimidinecarboxylic acid, 5-bromo-2-methyl-
CAS Number:
100707-39-9
Molecular Formula:
C6H5BrN2O2
Molecular Weight:
217.0201
MDL Number:
MFCD00466678
IUPAC Name:
5-bromo-2-methylpyrimidine-4-carboxylic acid
InChI:
InChI=1S/C6H5BrN2O2/c1-3-8-2-4(7)5(9-3)6(10)11/h2H,1H3,(H,10,11)
InChI Key:
MDERWSRHRJUWNS-UHFFFAOYSA-N
SMILES:
Cc1ncc(c(n1)C(=O)O)Br
NSC Number:
82651
Properties
Complexity:
165
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:
1
Isotope Atom Count:
0
Molecular Weight:
217.022g/mol
Monoisotopic Mass:
215.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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