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1824708-16-8 | 1H-1,2,3-Triazole-4-carboxylic acid, 1-(2-chloro-4-cyclopropylphenyl)-5-methyl-
CAS No: 1824708-16-8 Catalog No: AG0023WR MDL No:MFCD30478445
Product Description
Catalog Number:
AG0023WR
Chemical Name:
1H-1,2,3-Triazole-4-carboxylic acid, 1-(2-chloro-4-cyclopropylphenyl)-5-methyl-
CAS Number:
1824708-16-8
Molecular Formula:
C13H12ClN3O2
Molecular Weight:
277.7063
MDL Number:
MFCD30478445
IUPAC Name:
1-(2-chloro-4-cyclopropylphenyl)-5-methyltriazole-4-carboxylic acid
InChI:
InChI=1S/C13H12ClN3O2/c1-7-12(13(18)19)15-16-17(7)11-5-4-9(6-10(11)14)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,18,19)
InChI Key:
MPPXFIMRSPKELK-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1n1nnc(c1C)C(=O)O)C1CC1
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.708g/mol
Monoisotopic Mass:
277.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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