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1222556-83-3 | Pyridine, 3-(chloromethyl)-5-fluoro-, hydrochloride (1:1)
CAS No: 1222556-83-3 Catalog No: AG00170A MDL No:MFCD19687170
Product Description
Catalog Number:
AG00170A
Chemical Name:
Pyridine, 3-(chloromethyl)-5-fluoro-, hydrochloride (1:1)
CAS Number:
1222556-83-3
Molecular Formula:
C6H6Cl2FN
Molecular Weight:
182.0229
MDL Number:
MFCD19687170
IUPAC Name:
3-(chloromethyl)-5-fluoropyridine;hydrochloride
InChI:
InChI=1S/C6H5ClFN.ClH/c7-2-5-1-6(8)4-9-3-5;/h1,3-4H,2H2;1H
InChI Key:
PFOZTYJEKXOWQS-UHFFFAOYSA-N
SMILES:
Fc1cc(CCl)cnc1.Cl
Properties
Complexity:
89.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.986g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.019g/mol
Monoisotopic Mass:
180.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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