Name: Name:methyl 4-(1H-1,2,3,4-tetrazol-1-yl)benzoate
Brand: Angene
SKU: AG01BDSH
Rating: 90 (10 reviews)

methyl 4-(1H-1,2,3,4-tetrazol-1-yl)benzoate

CAS No.:

351995-88-5

Catalog Number:

AG01BDSH

Molecular Formula:

C9H8N4O2

Molecular Weight:

204.1854

Catalog Number:

AG01BDSH

Chemical Name:

methyl 4-(1H-1,2,3,4-tetrazol-1-yl)benzoate

CAS Number:

351995-88-5

Molecular Formula:

C9H8N4O2

Molecular Weight:

204.1854

MDL Number:

MFCD02207529

IUPAC Name:

methyl 4-(tetrazol-1-yl)benzoate

InChI:

InChI=1S/C9H8N4O2/c1-15-9(14)7-2-4-8(5-3-7)13-6-10-11-12-13/h2-6H,1H3

InChI Key:

WVKMMKCGEPFVTQ-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(cc1)n1cnnn1

Complexity:

228

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.189g/mol

Monoisotopic Mass:

204.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9