Name: Name:3-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)diazen-1-yl]benzoic acid
Brand: Angene
SKU: AG019OKT
Rating: 90 (10 reviews)

3-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)diazen-1-yl]benzoic acid

CAS No.:

863763-96-6

Catalog Number:

AG019OKT

Molecular Formula:

C15H15N3O3

Molecular Weight:

285.2979

Catalog Number:

AG019OKT

Chemical Name:

3-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)diazen-1-yl]benzoic acid

CAS Number:

863763-96-6

Molecular Formula:

C15H15N3O3

Molecular Weight:

285.2979

MDL Number:

MFCD07339283

IUPAC Name:

3-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)diazenyl]benzoic acid

InChI:

InChI=1S/C15H15N3O3/c1-8-13(10(3)19)9(2)16-14(8)18-17-12-6-4-5-11(7-12)15(20)21/h4-7,16H,1-3H3,(H,20,21)

InChI Key:

ZOSPVPUJOQGNSM-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccc(c1)N=Nc1[nH]c(c(c1C)C(=O)C)C

Complexity:

438

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.303g/mol

Monoisotopic Mass:

285.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8