Name: Name:1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01AGWZ
Rating: 90 (10 reviews)

1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1094411-42-3

Catalog Number:

AG01AGWZ

Molecular Formula:

C10H7ClFN3O2

Molecular Weight:

255.6329

Catalog Number:

AG01AGWZ

Chemical Name:

1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1094411-42-3

Molecular Formula:

C10H7ClFN3O2

Molecular Weight:

255.6329

MDL Number:

MFCD11180786

IUPAC Name:

1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxylic acid

InChI:

InChI=1S/C10H7ClFN3O2/c1-5-9(10(16)17)13-14-15(5)6-2-3-8(12)7(11)4-6/h2-4H,1H3,(H,16,17)

InChI Key:

NYUSHQHVBYUPLX-UHFFFAOYSA-N

SMILES:

OC(=O)c1nnn(c1C)c1ccc(c(c1)Cl)F

Complexity:

307

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

255.021g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

255.633g/mol

Monoisotopic Mass:

255.021g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3