Name: Name:1-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-1,2,3-benzotriazole-6-carboxylic acid
Brand: Angene
SKU: AG01BUS0
Rating: 90 (10 reviews)

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

CAS No.:

2044872-28-6

Catalog Number:

AG01BUS0

Molecular Formula:

C11H17N3O2

Molecular Weight:

223.2716

Catalog Number:

AG01BUS0

Chemical Name:

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

CAS Number:

2044872-28-6

Molecular Formula:

C11H17N3O2

Molecular Weight:

223.2716

MDL Number:

MFCD30487481

IUPAC Name:

3-(2-methylpropyl)-4,5,6,7-tetrahydrobenzotriazole-5-carboxylic acid

InChI:

InChI=1S/C11H17N3O2/c1-7(2)6-14-10-5-8(11(15)16)3-4-9(10)12-13-14/h7-8H,3-6H2,1-2H3,(H,15,16)

InChI Key:

REGDFICWYLWJDF-UHFFFAOYSA-N

SMILES:

CC(Cn1nnc2c1CC(CC2)C(=O)O)C

Complexity:

270

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

223.276g/mol

Monoisotopic Mass:

223.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2