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Home > Bromides > 1197193-30-8
1197193-30-8 | 2-Pyrimidinecarboxylic acid, 5-bromo-, ethyl ester
CAS No: 1197193-30-8 Catalog No: AG000PIP MDL No:MFCD12964050
Product Description
Catalog Number:
AG000PIP
Chemical Name:
2-Pyrimidinecarboxylic acid, 5-bromo-, ethyl ester
CAS Number:
1197193-30-8
Molecular Formula:
C7H7BrN2O2
Molecular Weight:
231.0467
MDL Number:
MFCD12964050
IUPAC Name:
ethyl 5-bromopyrimidine-2-carboxylate
InChI:
InChI=1S/C7H7BrN2O2/c1-2-12-7(11)6-9-3-5(8)4-10-6/h3-4H,2H2,1H3
InChI Key:
CZQFHUXIWZYQGP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc(cn1)Br
Properties
Complexity:
158
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:
0
Isotope Atom Count:
0
Molecular Weight:
231.049g/mol
Monoisotopic Mass:
229.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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