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1227563-98-5 | 2-Pyridinemethanol, 3-chloro-5-fluoro-
CAS No: 1227563-98-5 Catalog No: AG000JAB MDL No:MFCD16607023
Product Description
Catalog Number:
AG000JAB
Chemical Name:
2-Pyridinemethanol, 3-chloro-5-fluoro-
CAS Number:
1227563-98-5
Molecular Formula:
C6H5ClFNO
Molecular Weight:
161.5614
MDL Number:
MFCD16607023
IUPAC Name:
(3-chloro-5-fluoropyridin-2-yl)methanol
InChI:
InChI=1S/C6H5ClFNO/c7-5-1-4(8)2-9-6(5)3-10/h1-2,10H,3H2
InChI Key:
ITAHMGJQWMZGEX-UHFFFAOYSA-N
SMILES:
OCc1ncc(cc1Cl)F
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.56g/mol
Monoisotopic Mass:
161.004g/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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