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58481-11-1 | Methyl 2-chloroisonicotinate
CAS No: 58481-11-1 Catalog No: AG003RNJ MDL No:MFCD01765409
Product Description
Catalog Number:
AG003RNJ
Chemical Name:
Methyl 2-chloroisonicotinate
CAS Number:
58481-11-1
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
MDL Number:
MFCD01765409
IUPAC Name:
methyl 2-chloropyridine-4-carboxylate
InChI:
InChI=1S/C7H6ClNO2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3
InChI Key:
KKOUHTMLFUAAGG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc(c1)Cl
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.58g/mol
Monoisotopic Mass:
171.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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