Name: Name:1,2,3-Benzotriazin-4(3H)-one,3-(chloromethyl)-
Brand: Angene
SKU: AG006WKD
Rating: 90 (10 reviews)

1,2,3-Benzotriazin-4(3H)-one,3-(chloromethyl)-

CAS No.:

24310-41-6

Catalog Number:

AG006WKD

Molecular Formula:

C8H6ClN3O

Molecular Weight:

195.6057

Catalog Number:

AG006WKD

Chemical Name:

1,2,3-Benzotriazin-4(3H)-one,3-(chloromethyl)-

CAS Number:

24310-41-6

Molecular Formula:

C8H6ClN3O

Molecular Weight:

195.6057

MDL Number:

MFCD03954011

IUPAC Name:

3-(chloromethyl)-1,2,3-benzotriazin-4-one

InChI:

InChI=1S/C8H6ClN3O/c9-5-12-8(13)6-3-1-2-4-7(6)10-11-12/h1-4H,5H2

InChI Key:

DIBUQPIFKGWZDT-UHFFFAOYSA-N

SMILES:

ClCn1nnc2c(c1=O)cccc2

EC Number:

246-152-3

UNII:

7YY9H76V34

Complexity:

244

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.02g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

195.606g/mol

Monoisotopic Mass:

195.02g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5