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1227599-15-6 | 4-Pyridinemethanol, 2-bromo-5-chloro-
CAS No: 1227599-15-6 Catalog No: AG000JE2 MDL No:MFCD16606985
Product Description
Catalog Number:
AG000JE2
Chemical Name:
4-Pyridinemethanol, 2-bromo-5-chloro-
CAS Number:
1227599-15-6
Molecular Formula:
C6H5BrClNO
Molecular Weight:
222.4670
MDL Number:
MFCD16606985
IUPAC Name:
(2-bromo-5-chloropyridin-4-yl)methanol
InChI:
InChI=1S/C6H5BrClNO/c7-6-1-4(3-10)5(8)2-9-6/h1-2,10H,3H2
InChI Key:
CMIOGGFXVIZECO-UHFFFAOYSA-N
SMILES:
OCc1cc(Br)ncc1Cl
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.924g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.466g/mol
Monoisotopic Mass:
220.924g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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