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89581-38-4 | Methyl 5-Bromopyrimidine-2-carboxylate
CAS No: 89581-38-4 Catalog No: AG00357X MDL No:MFCD11111606
Product Description
Catalog Number:
AG00357X
Chemical Name:
Methyl 5-Bromopyrimidine-2-carboxylate
CAS Number:
89581-38-4
Molecular Formula:
C6H5BrN2O2
Molecular Weight:
217.0201
MDL Number:
MFCD11111606
IUPAC Name:
methyl 5-bromopyrimidine-2-carboxylate
InChI:
InChI=1S/C6H5BrN2O2/c1-11-6(10)5-8-2-4(7)3-9-5/h2-3H,1H3
InChI Key:
XILAKTMDKMVJQV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(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:
0
Isotope Atom Count:
0
Molecular Weight:
217.022g/mol
Monoisotopic Mass:
215.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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