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Home > Bromides > 1235450-86-8
1235450-86-8 | 4-PyriMidinecarboxylic acid, 5-broMo-2-ethyl-
CAS No: 1235450-86-8 Catalog No: AG000KS1 MDL No:MFCD11870588
Product Description
Catalog Number:
AG000KS1
Chemical Name:
4-PyriMidinecarboxylic acid, 5-broMo-2-ethyl-
CAS Number:
1235450-86-8
Molecular Formula:
C7H7BrN2O2
Molecular Weight:
231.0467
MDL Number:
MFCD11870588
IUPAC Name:
5-bromo-2-ethylpyrimidine-4-carboxylic acid
InChI:
InChI=1S/C7H7BrN2O2/c1-2-5-9-3-4(8)6(10-5)7(11)12/h3H,2H2,1H3,(H,11,12)
InChI Key:
FTBWYCGHGSATOE-UHFFFAOYSA-N
SMILES:
CCc1ncc(c(n1)C(=O)O)Br
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.969g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.049g/mol
Monoisotopic Mass:
229.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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