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114335-54-5 | 3-Pyridinol, 2-amino-4-bromo-
CAS No: 114335-54-5 Catalog No: AG000B4B MDL No:MFCD16658903
Product Description
Catalog Number:
AG000B4B
Chemical Name:
3-Pyridinol, 2-amino-4-bromo-
CAS Number:
114335-54-5
Molecular Formula:
C5H5BrN2O
Molecular Weight:
189.0100
MDL Number:
MFCD16658903
IUPAC Name:
2-amino-4-bromopyridin-3-ol
InChI:
InChI=1S/C5H5BrN2O/c6-3-1-2-8-5(7)4(3)9/h1-2,9H,(H2,7,8)
InChI Key:
VHVGFRZWGORWHX-UHFFFAOYSA-N
SMILES:
Brc1ccnc(c1O)N
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.959g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.012g/mol
Monoisotopic Mass:
187.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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