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Home > Bromides > 1134327-91-5
1134327-91-5 | 2-Pyrimidineacetic acid, 5-bromo-, ethyl ester
CAS No: 1134327-91-5 Catalog No: AG0008KN MDL No:MFCD09909703
Product Description
Catalog Number:
AG0008KN
Chemical Name:
2-Pyrimidineacetic acid, 5-bromo-, ethyl ester
CAS Number:
1134327-91-5
Molecular Formula:
C8H9BrN2O2
Molecular Weight:
245.0733
MDL Number:
MFCD09909703
IUPAC Name:
ethyl 2-(5-bromopyrimidin-2-yl)acetate
InChI:
InChI=1S/C8H9BrN2O2/c1-2-13-8(12)3-7-10-4-6(9)5-11-7/h4-5H,2-3H2,1H3
InChI Key:
WJXDNGKSVNQDBZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ncc(cn1)Br
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.985g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.076g/mol
Monoisotopic Mass:
243.985g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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