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1257855-12-1 | 4-Pyridinecarboxylic acid, 2-amino-3-bromo-, methyl ester
CAS No: 1257855-12-1 Catalog No: AG000OQ2 MDL No:
Product Description
Catalog Number:
AG000OQ2
Chemical Name:
4-Pyridinecarboxylic acid, 2-amino-3-bromo-, methyl ester
CAS Number:
1257855-12-1
Molecular Formula:
C7H7BrN2O2
Molecular Weight:
231.0467
IUPAC Name:
methyl 2-amino-3-bromopyridine-4-carboxylate
InChI:
InChI=1S/C7H7BrN2O2/c1-12-7(11)4-2-3-10-6(9)5(4)8/h2-3H,1H3,(H2,9,10)
InChI Key:
UWWUVMYUFKTADH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc(c1Br)N
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:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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