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1013648-04-8,MFCD15144593
Catalog No.:AA00047L
1013648-04-8 | Methyl 2,6-dichloro-4-methylnicotinate
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1g
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Technical Information
Catalog Number:
AA00047L
Chemical Name:
Methyl 2,6-dichloro-4-methylnicotinate
CAS Number:
1013648-04-8
Molecular Formula:
C8H7Cl2NO2
Molecular Weight:
220.0527
MDL Number:
MFCD15144593
IUPAC Name:
methyl 2,6-dichloro-4-methylpyridine-3-carboxylate
InChI:
InChI=1S/C8H7Cl2NO2/c1-4-3-5(9)11-7(10)6(4)8(12)13-2/h3H,1-2H3
InChI Key:
QOTFUYQFPHLJTM-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)cc(nc1Cl)Cl
Properties
Computed Properties
 
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.985g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.049g/mol
Monoisotopic Mass:
218.985g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
methyl 2,6-dichloro-4-methylnicotinate 
1013648-04-8 
ANW-52735 
MFCD15144593 
ZINC64034153 
AKOS005146328 
CM-2159 
FCH1388540 
DS-15566 
AB0088536 
AJ-114732 
AX8162457 
AK-50925 
DB-001046 
TC-061814 
AM20050611 
CS-0061273 
FT-0731129 
ST24030880 
2,6-Dichloro-4-methyl-nicotinic acid methyl ester 
I02-2232 
2,6-dichloro-4-methyl-pyridine-3-carboxylic acid methylester 
3-Pyridinecarboxylic acid, 2,6-dichloro-4-methyl-, methyl ester 
methyl 2,6-dichloro-4-methylpyridine-3-carboxylate 
C8H7Cl2NO2 
Methyl2,6-dichloro-4-MethylNicotinate 
A15057 
SCHEMBL1085042 
CTK3J9709 
KS-00000HYZ 
DTXSID40677250 
QOTFUYQFPHLJTM-UHFFFAOYSA-N 
0371AA 
Literature
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