Name: Name:3-chloro-1,2,4-benzotriazine
Brand: Angene
SKU: AG01BD4W
Rating: 90 (10 reviews)

3-chloro-1,2,4-benzotriazine

CAS No.:

91669-21-5

Catalog Number:

AG01BD4W

Molecular Formula:

C7H4ClN3

Molecular Weight:

165.5798

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Product Description

Catalog Number:

AG01BD4W

Chemical Name:

3-chloro-1,2,4-benzotriazine

CAS Number:

91669-21-5

Molecular Formula:

C7H4ClN3

Molecular Weight:

165.5798

MDL Number:

MFCD11111722

IUPAC Name:

3-chloro-1,2,4-benzotriazine

InChI:

InChI=1S/C7H4ClN3/c8-7-9-5-3-1-2-4-6(5)10-11-7/h1-4H

InChI Key:

GGZDOSFUDVOCBS-UHFFFAOYSA-N

SMILES:

Clc1nnc2c(n1)cccc2

Properties

Complexity:

142

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

165.009g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

165.58g/mol

Monoisotopic Mass:

165.009g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Stille coupling reactions in the synthesis of hypoxia-selective 3-alkyl-1,2,4-benzotriazine 1,4-dioxide anticancer agents.	The Journal of organic chemistry 20060818