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1802489-60-6 | 3-Pyridinemethanol, 6-bromo-2-methoxy-
CAS No: 1802489-60-6 Catalog No: AG0021TT MDL No:MFCD27922757
Product Description
Catalog Number:
AG0021TT
Chemical Name:
3-Pyridinemethanol, 6-bromo-2-methoxy-
CAS Number:
1802489-60-6
Molecular Formula:
C7H8BrNO2
Molecular Weight:
218.0479
MDL Number:
MFCD27922757
IUPAC Name:
(6-bromo-2-methoxypyridin-3-yl)methanol
InChI:
InChI=1S/C7H8BrNO2/c1-11-7-5(4-10)2-3-6(8)9-7/h2-3,10H,4H2,1H3
InChI Key:
MTHRVTUIZBUYCH-UHFFFAOYSA-N
SMILES:
COc1nc(Br)ccc1CO
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.974g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.05g/mol
Monoisotopic Mass:
216.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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