Name: Name:1-(3-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
Brand: Angene
SKU: AG019VBR
Rating: 90 (10 reviews)

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

CAS No.:

926204-36-6

Catalog Number:

AG019VBR

Molecular Formula:

C14H13BrN2O2

Molecular Weight:

321.1692

Catalog Number:

AG019VBR

Chemical Name:

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

CAS Number:

926204-36-6

Molecular Formula:

C14H13BrN2O2

Molecular Weight:

321.1692

MDL Number:

MFCD09045115

IUPAC Name:

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

InChI:

InChI=1S/C14H13BrN2O2/c15-9-4-3-5-10(8-9)17-12-7-2-1-6-11(12)13(16-17)14(18)19/h3-5,8H,1-2,6-7H2,(H,18,19)

InChI Key:

VBQZORHBTCMSKL-UHFFFAOYSA-N

SMILES:

Brc1cccc(c1)n1nc(c2c1CCCC2)C(=O)O

Complexity:

352

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