Name: Name:2-chloro-3-(1H-1,2,4-triazol-1-yl)propanoic acid
Brand: Angene
SKU: AG01BJAT
Rating: 90 (10 reviews)

2-chloro-3-(1H-1,2,4-triazol-1-yl)propanoic acid

CAS No.:

1564684-96-3

Catalog Number:

AG01BJAT

Molecular Formula:

C5H6ClN3O2

Molecular Weight:

175.5730

Catalog Number:

AG01BJAT

Chemical Name:

2-chloro-3-(1H-1,2,4-triazol-1-yl)propanoic acid

CAS Number:

1564684-96-3

Molecular Formula:

C5H6ClN3O2

Molecular Weight:

175.5730

MDL Number:

MFCD26858346

IUPAC Name:

2-chloro-3-(1,2,4-triazol-1-yl)propanoic acid

InChI:

InChI=1S/C5H6ClN3O2/c6-4(5(10)11)1-9-3-7-2-8-9/h2-4H,1H2,(H,10,11)

InChI Key:

JKBNOKGHPLYOEL-UHFFFAOYSA-N

SMILES:

OC(=O)C(Cn1cncn1)Cl

Complexity:

155

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

175.015g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

175.572g/mol

Monoisotopic Mass:

175.015g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2