Name: Name:Methyl 1-(4-chlorophenyl)-5-methyl-1,2,3-triazole-4-carboxylate
Brand: Angene
SKU: AG000F39
Rating: 90 (10 reviews)

Methyl 1-(4-chlorophenyl)-5-methyl-1,2,3-triazole-4-carboxylate

CAS No.:

1147199-25-4

Catalog Number:

AG000F39

Molecular Formula:

C11H10ClN3O2

Molecular Weight:

251.6690

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Catalog Number:

AG000F39

Chemical Name:

Methyl 1-(4-chlorophenyl)-5-methyl-1,2,3-triazole-4-carboxylate

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

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.67g/mol

Monoisotopic Mass:

251.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6