Name: Name:1-(4-chlorophenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG019VY7
Rating: 90 (10 reviews)

1-(4-chlorophenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid

CAS No.:

97438-03-4

Catalog Number:

AG019VY7

Molecular Formula:

C15H15ClN2O2

Molecular Weight:

290.7448

Catalog Number:

AG019VY7

Chemical Name:

1-(4-chlorophenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid

CAS Number:

97438-03-4

Molecular Formula:

C15H15ClN2O2

Molecular Weight:

290.7448

MDL Number:

MFCD09050209

IUPAC Name:

1-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylic acid

InChI:

InChI=1S/C15H15ClN2O2/c16-10-6-8-11(9-7-10)18-13-5-3-1-2-4-12(13)14(17-18)15(19)20/h6-9H,1-5H2,(H,19,20)

InChI Key:

QJXQZYAWDBLXFU-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)n1nc(c2c1CCCCC2)C(=O)O

Complexity:

358

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

290.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

290.747g/mol

Monoisotopic Mass:

290.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1