Name: Name:1-[5-chloro-2-(chloromethyl)phenyl]-1H-1,2,4-triazole
Brand: Angene
SKU: AG01BGIQ
Rating: 90 (10 reviews)

1-[5-chloro-2-(chloromethyl)phenyl]-1H-1,2,4-triazole

CAS No.:

1602769-76-5

Catalog Number:

AG01BGIQ

Molecular Formula:

C9H7Cl2N3

Molecular Weight:

228.0780

Catalog Number:

AG01BGIQ

Chemical Name:

1-[5-chloro-2-(chloromethyl)phenyl]-1H-1,2,4-triazole

CAS Number:

1602769-76-5

Molecular Formula:

C9H7Cl2N3

Molecular Weight:

228.0780

MDL Number:

MFCD28125143

IUPAC Name:

1-[5-chloro-2-(chloromethyl)phenyl]-1,2,4-triazole

InChI:

InChI=1S/C9H7Cl2N3/c10-4-7-1-2-8(11)3-9(7)14-6-12-5-13-14/h1-3,5-6H,4H2

InChI Key:

JAXZMKQZFZWETG-UHFFFAOYSA-N

SMILES:

ClCc1ccc(cc1n1cncn1)Cl

Complexity:

191

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.002g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.076g/mol

Monoisotopic Mass:

227.002g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7