Name: Name:1-[2-(2-chloro-4-formylphenoxy)ethyl]-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01A0E6
Rating: 90 (10 reviews)

1-[2-(2-chloro-4-formylphenoxy)ethyl]-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1291958-63-8

Catalog Number:

AG01A0E6

Molecular Formula:

C12H10ClN3O4

Molecular Weight:

295.6785

Catalog Number:

AG01A0E6

Chemical Name:

1-[2-(2-chloro-4-formylphenoxy)ethyl]-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1291958-63-8

Molecular Formula:

C12H10ClN3O4

Molecular Weight:

295.6785

MDL Number:

MFCD22378693

IUPAC Name:

1-[2-(2-chloro-4-formylphenoxy)ethyl]triazole-4-carboxylic acid

InChI:

InChI=1S/C12H10ClN3O4/c13-9-5-8(7-17)1-2-11(9)20-4-3-16-6-10(12(18)19)14-15-16/h1-2,5-7H,3-4H2,(H,18,19)

InChI Key:

NRTZROABHGJTIY-UHFFFAOYSA-N

SMILES:

O=Cc1ccc(c(c1)Cl)OCCn1nnc(c1)C(=O)O

Complexity:

358

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

295.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

295.679g/mol

Monoisotopic Mass:

295.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2