Name: Name:methyl 2-(4,5,6,7-tetrahydro-1H-1,2,3-benzotriazol-1-yl)acetate
Brand: Angene
SKU: AG01ALXS
Rating: 90 (10 reviews)

methyl 2-(4,5,6,7-tetrahydro-1H-1,2,3-benzotriazol-1-yl)acetate

CAS No.:

1803592-56-4

Catalog Number:

AG01ALXS

Molecular Formula:

C9H13N3O2

Molecular Weight:

195.2184

Catalog Number:

AG01ALXS

Chemical Name:

methyl 2-(4,5,6,7-tetrahydro-1H-1,2,3-benzotriazol-1-yl)acetate

CAS Number:

1803592-56-4

Molecular Formula:

C9H13N3O2

Molecular Weight:

195.2184

MDL Number:

MFCD28968294

IUPAC Name:

methyl 2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)acetate

InChI:

InChI=1S/C9H13N3O2/c1-14-9(13)6-12-8-5-3-2-4-7(8)10-11-12/h2-6H2,1H3

InChI Key:

TUAWFWHBXGQLPF-UHFFFAOYSA-N

SMILES:

COC(=O)Cn1nnc2c1CCCC2

Complexity:

222

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

195.222g/mol

Monoisotopic Mass:

195.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8