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122306-01-8 | 3-Pyridinemethanol, 6-bromo-
CAS No: 122306-01-8 Catalog No: AG00173B MDL No:MFCD04974508
Product Description
Catalog Number:
AG00173B
Chemical Name:
3-Pyridinemethanol, 6-bromo-
CAS Number:
122306-01-8
Molecular Formula:
C6H6BrNO
Molecular Weight:
188.0219
MDL Number:
MFCD04974508
IUPAC Name:
(6-bromopyridin-3-yl)methanol
InChI:
InChI=1S/C6H6BrNO/c7-6-2-1-5(4-9)3-8-6/h1-3,9H,4H2
InChI Key:
QPPDKOIDAYZUHN-UHFFFAOYSA-N
SMILES:
OCc1ccc(nc1)Br
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:
1
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