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1147199-25-4 | 1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-chlorophenyl)-5-methyl-, methyl ester
CAS No: 1147199-25-4 Catalog No: AG000F39 MDL No:MFCD12968656
Product Description
Catalog Number:
AG000F39
Chemical Name:
1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-chlorophenyl)-5-methyl-, methyl ester
CAS Number:
1147199-25-4
Molecular Formula:
C11H10ClN3O2
Molecular Weight:
251.6690
MDL Number:
MFCD12968656
IUPAC Name:
methyl 1-(4-chlorophenyl)-5-methyltriazole-4-carboxylate
InChI:
InChI=1S/C11H10ClN3O2/c1-7-10(11(16)17-2)13-14-15(7)9-5-3-8(12)4-6-9/h3-6H,1-2H3
InChI Key:
MRCVBMFDDZQPPU-UHFFFAOYSA-N
SMILES:
COC(=O)c1nnn(c1C)c1ccc(cc1)Cl
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.67g/mol
Monoisotopic Mass:
251.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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