Name: Name:4,5,6,7-tetrahydro-1H-1,2,3-benzotriazole-5-carboxylic acid
Brand: Angene
SKU: AG01BF9L
Rating: 90 (10 reviews)

4,5,6,7-tetrahydro-1H-1,2,3-benzotriazole-5-carboxylic acid

CAS No.:

33062-47-4

Catalog Number:

AG01BF9L

Molecular Formula:

C7H9N3O2

Molecular Weight:

167.1653

Catalog Number:

AG01BF9L

Chemical Name:

4,5,6,7-tetrahydro-1H-1,2,3-benzotriazole-5-carboxylic acid

CAS Number:

33062-47-4

Molecular Formula:

C7H9N3O2

Molecular Weight:

167.1653

MDL Number:

MFCD20647623

IUPAC Name:

4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxylic acid

InChI:

InChI=1S/C7H9N3O2/c11-7(12)4-1-2-5-6(3-4)9-10-8-5/h4H,1-3H2,(H,11,12)(H,8,9,10)

InChI Key:

JPYZNEPMEUAIJD-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCc2c(C1)nn[nH]2

Complexity:

197

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

167.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

167.168g/mol

Monoisotopic Mass:

167.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1