Name: Name:5-(chloromethyl)-1-(2-fluoro-5-methylphenyl)-1H-1,2,3,4-tetrazole
Brand: Angene
SKU: AG01AAEX
Rating: 90 (10 reviews)

5-(chloromethyl)-1-(2-fluoro-5-methylphenyl)-1H-1,2,3,4-tetrazole

CAS No.:

1094328-54-7

Catalog Number:

AG01AAEX

Molecular Formula:

C9H8ClFN4

Molecular Weight:

226.6380

Catalog Number:

AG01AAEX

Chemical Name:

5-(chloromethyl)-1-(2-fluoro-5-methylphenyl)-1H-1,2,3,4-tetrazole

CAS Number:

1094328-54-7

Molecular Formula:

C9H8ClFN4

Molecular Weight:

226.6380

MDL Number:

MFCD11134291

IUPAC Name:

5-(chloromethyl)-1-(2-fluoro-5-methylphenyl)tetrazole

InChI:

InChI=1S/C9H8ClFN4/c1-6-2-3-7(11)8(4-6)15-9(5-10)12-13-14-15/h2-4H,5H2,1H3

InChI Key:

JUAMQYVFLLKBCM-UHFFFAOYSA-N

SMILES:

ClCc1nnnn1c1cc(C)ccc1F

Complexity:

218

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.639g/mol

Monoisotopic Mass:

226.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1