Name: Name:1-(3-chlorophenyl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01AH01
Rating: 90 (10 reviews)

1-(3-chlorophenyl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1017457-41-8

Catalog Number:

AG01AH01

Molecular Formula:

C11H10ClN3O2

Molecular Weight:

251.6690

Catalog Number:

AG01AH01

Chemical Name:

1-(3-chlorophenyl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1017457-41-8

Molecular Formula:

C11H10ClN3O2

Molecular Weight:

251.6690

MDL Number:

MFCD10006694

IUPAC Name:

1-(3-chlorophenyl)-5-ethyltriazole-4-carboxylic acid

InChI:

InChI=1S/C11H10ClN3O2/c1-2-9-10(11(16)17)13-14-15(9)8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H,16,17)

InChI Key:

NQNXBQKWFGLUPK-UHFFFAOYSA-N

SMILES:

CCc1c(nnn1c1cccc(c1)Cl)C(=O)O

Complexity:

290

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:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7