Name: Name:1-(3-bromo-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01DW0O
Rating: 90 (10 reviews)

1-(3-bromo-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid

CAS No.:

1406116-53-7

Catalog Number:

AG01DW0O

Molecular Formula:

C14H13BrN2O2

Molecular Weight:

321.1692

Catalog Number:

AG01DW0O

Chemical Name:

1-(3-bromo-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid

CAS Number:

1406116-53-7

Molecular Formula:

C14H13BrN2O2

Molecular Weight:

321.1692

MDL Number:

MFCD18563457

IUPAC Name:

1-(3-bromo-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid

InChI:

InChI=1S/C14H13BrN2O2/c1-8-5-6-9(7-11(8)15)17-12-4-2-3-10(12)13(16-17)14(18)19/h5-7H,2-4H2,1H3,(H,18,19)

InChI Key:

SZWNBDYCJGQDNR-UHFFFAOYSA-N

SMILES:

OC(=O)c1nn(c2c1CCC2)c1ccc(c(c1)Br)C

Complexity:

365

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:

3.5