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Home > Bromides > 1134327-93-7
1134327-93-7 | 2-Pyrimidineacetic acid, 5-bromo-
CAS No: 1134327-93-7 Catalog No: AG0008KM MDL No:MFCD09909705
Product Description
Catalog Number:
AG0008KM
Chemical Name:
2-Pyrimidineacetic acid, 5-bromo-
CAS Number:
1134327-93-7
Molecular Formula:
C6H5BrN2O2
Molecular Weight:
217.0201
MDL Number:
MFCD09909705
IUPAC Name:
2-(5-bromopyrimidin-2-yl)acetic acid
InChI:
InChI=1S/C6H5BrN2O2/c7-4-2-8-5(9-3-4)1-6(10)11/h2-3H,1H2,(H,10,11)
InChI Key:
VQTSLZVLSPVCJG-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ncc(cn1)Br
Properties
Complexity:
146
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:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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