Name: Name:1-(4-fluorobenzyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG00IF7X
Rating: 90 (10 reviews)

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

CAS No.:

885950-27-6

Catalog Number:

AG00IF7X

Molecular Formula:

C11H10FN3O2

Molecular Weight:

235.2144

Catalog Number:

AG00IF7X

Chemical Name:

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

CAS Number:

885950-27-6

Molecular Formula:

C11H10FN3O2

Molecular Weight:

235.2144

MDL Number:

MFCD06797392

IUPAC Name:

1-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carboxylic acid

InChI:

InChI=1S/C11H10FN3O2/c1-7-10(11(16)17)13-14-15(7)6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,16,17)

InChI Key:

ATHWFQXBAUJWOW-UHFFFAOYSA-N

SMILES:

OC(=O)c1nnn(c1C)Cc1ccc(cc1)F

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

235.076g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

235.218g/mol

Monoisotopic Mass:

235.076g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6