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131747-45-0 | 2-Pyridinemethanol, 4-bromo-
CAS No: 131747-45-0 Catalog No: AG000ZN7 MDL No:MFCD09800557
Product Description
Catalog Number:
AG000ZN7
Chemical Name:
2-Pyridinemethanol, 4-bromo-
CAS Number:
131747-45-0
Molecular Formula:
C6H6BrNO
Molecular Weight:
188.0219
MDL Number:
MFCD09800557
IUPAC Name:
(4-bromopyridin-2-yl)methanol
InChI:
InChI=1S/C6H6BrNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2
InChI Key:
MHVUUSQGWMQSMH-UHFFFAOYSA-N
SMILES:
OCc1cc(Br)ccn1
Properties
Complexity:
89.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.963g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.024g/mol
Monoisotopic Mass:
186.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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