Name: Name:methyl 1-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-3-carboxylate
Brand: Angene
SKU: AG01DW0H
Rating: 90 (10 reviews)

methyl 1-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-3-carboxylate

CAS No.:

1403670-77-8

Catalog Number:

AG01DW0H

Molecular Formula:

C11H10ClN3O2

Molecular Weight:

251.6690

Catalog Number:

AG01DW0H

Chemical Name:

methyl 1-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-3-carboxylate

CAS Number:

1403670-77-8

Molecular Formula:

C11H10ClN3O2

Molecular Weight:

251.6690

MDL Number:

MFCD24869759

IUPAC Name:

methyl 1-[(2-chlorophenyl)methyl]-1,2,4-triazole-3-carboxylate

InChI:

InChI=1S/C11H10ClN3O2/c1-17-11(16)10-13-7-15(14-10)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3

InChI Key:

QHXQQHJTTGNFEG-UHFFFAOYSA-N

SMILES:

COC(=O)c1ncn(n1)Cc1ccccc1Cl

Complexity:

277

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:

2.4