Name: Name:2-[1-(3-bromophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]acetic acid
Brand: Angene
SKU: AG01AKTB
Rating: 90 (10 reviews)

2-[1-(3-bromophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]acetic acid

CAS No.:

1156994-37-4

Catalog Number:

AG01AKTB

Molecular Formula:

C12H11BrN2O3

Molecular Weight:

311.1313

Catalog Number:

AG01AKTB

Chemical Name:

2-[1-(3-bromophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]acetic acid

CAS Number:

1156994-37-4

Molecular Formula:

C12H11BrN2O3

Molecular Weight:

311.1313

MDL Number:

MFCD12076276

IUPAC Name:

2-[1-(3-bromophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetic acid

InChI:

InChI=1S/C12H11BrN2O3/c1-7-10(6-11(16)17)12(18)15(14-7)9-4-2-3-8(13)5-9/h2-5,10H,6H2,1H3,(H,16,17)

InChI Key:

BVFFCOHQCJERCM-UHFFFAOYSA-N

SMILES:

OC(=O)CC1C(=NN(C1=O)c1cccc(c1)Br)C

Complexity:

397

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

309.995g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

311.135g/mol

Monoisotopic Mass:

309.995g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5