Name: Name:3-tert-butyl-5-chloro-4-methyl-4H-1,2,4-triazole
Brand: Angene
SKU: AG01DWTH
Rating: 90 (10 reviews)

3-tert-butyl-5-chloro-4-methyl-4H-1,2,4-triazole

CAS No.:

904321-35-3

Catalog Number:

AG01DWTH

Molecular Formula:

C7H12ClN3

Molecular Weight:

173.6433

Catalog Number:

AG01DWTH

Chemical Name:

3-tert-butyl-5-chloro-4-methyl-4H-1,2,4-triazole

CAS Number:

904321-35-3

Molecular Formula:

C7H12ClN3

Molecular Weight:

173.6433

MDL Number:

MFCD18345533

IUPAC Name:

3-tert-butyl-5-chloro-4-methyl-1,2,4-triazole

InChI:

InChI=1S/C7H12ClN3/c1-7(2,3)5-9-10-6(8)11(5)4/h1-4H3

InChI Key:

XWNGBTOVHHLKFM-UHFFFAOYSA-N

SMILES:

CC(c1nnc(n1C)Cl)(C)C

Complexity:

143

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

173.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

173.644g/mol

Monoisotopic Mass:

173.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1