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626210-64-8 | [(5-Bromo-pyridine-3-carbonyl)-amino]-acetic acid
CAS No: 626210-64-8 Catalog No: AG01F9DQ MDL No:
Product Description
Catalog Number:
AG01F9DQ
Chemical Name:
[(5-Bromo-pyridine-3-carbonyl)-amino]-acetic acid
CAS Number:
626210-64-8
Molecular Formula:
C8H7BrN2O3
Molecular Weight:
259.0568
IUPAC Name:
2-[(5-bromopyridine-3-carbonyl)amino]acetic acid
InChI:
InChI=1S/C8H7BrN2O3/c9-6-1-5(2-10-3-6)8(14)11-4-7(12)13/h1-3H,4H2,(H,11,14)(H,12,13)
InChI Key:
NYYJXEYEUCFMSV-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)c1cncc(c1)Br
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.059g/mol
Monoisotopic Mass:
257.964g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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