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138279-32-0 | 3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-
CAS No: 138279-32-0 Catalog No: AG0018GE MDL No:MFCD22421639
Product Description
Catalog Number:
AG0018GE
Chemical Name:
3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-
CAS Number:
138279-32-0
Molecular Formula:
C15H13Cl2NO4
Molecular Weight:
342.1740
MDL Number:
MFCD22421639
IUPAC Name:
4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid
InChI:
InChI=1S/C15H13Cl2NO4/c1-6-10(14(19)20)12(11(15(21)22)7(2)18-6)8-4-3-5-9(16)13(8)17/h3-5,12,18H,1-2H3,(H,19,20)(H,21,22)
InChI Key:
GCUMHOAQJSSYSV-UHFFFAOYSA-N
SMILES:
OC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)O)C
UNII:
08U7I74079
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.022g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
342.172g/mol
Monoisotopic Mass:
341.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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