Name: Name:1-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
Brand: Angene
SKU: AG019V9P
Rating: 90 (10 reviews)

1-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

CAS No.:

123345-20-0

Catalog Number:

AG019V9P

Molecular Formula:

C14H13BrN2O2

Molecular Weight:

321.1692

Catalog Number:

AG019V9P

Chemical Name:

1-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

CAS Number:

123345-20-0

Molecular Formula:

C14H13BrN2O2

Molecular Weight:

321.1692

MDL Number:

MFCD09046432

IUPAC Name:

1-(4-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid

InChI:

InChI=1S/C14H13BrN2O2/c15-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)13(16-17)14(18)19/h5-8H,1-4H2,(H,18,19)

InChI Key:

DVJDROZKTORELN-UHFFFAOYSA-N

SMILES:

Brc1ccc(cc1)n1nc(c2c1CCCC2)C(=O)O

Complexity:

344

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

320.016g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

321.174g/mol

Monoisotopic Mass:

320.016g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7