Name: Name:2-[1-(3-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]acetic acid
Brand: Angene
SKU: AG019WFD
Rating: 90 (10 reviews)

2-[1-(3-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]acetic acid

CAS No.:

1017457-61-2

Catalog Number:

AG019WFD

Molecular Formula:

C11H10ClN3O2

Molecular Weight:

251.6690

Catalog Number:

AG019WFD

Chemical Name:

2-[1-(3-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]acetic acid

CAS Number:

1017457-61-2

Molecular Formula:

C11H10ClN3O2

Molecular Weight:

251.6690

MDL Number:

MFCD10006709

IUPAC Name:

2-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]acetic acid

InChI:

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

InChI Key:

LVOHMNHHPAHXSG-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1nnn(c1C)c1cccc(c1)Cl

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:

1.9