Name: Name:Benzoic acid, 4-(di-1H-pyrrol-2-ylmethyl)-, methyl ester
Brand: Angene
SKU: AG001XEU
Rating: 90 (10 reviews)

Benzoic acid, 4-(di-1H-pyrrol-2-ylmethyl)-, methyl ester

CAS No.:

167482-99-7

Catalog Number:

AG001XEU

Molecular Formula:

C17H16N2O2

Molecular Weight:

280.3211

Catalog Number:

AG001XEU

Chemical Name:

Benzoic acid, 4-(di-1H-pyrrol-2-ylmethyl)-, methyl ester

CAS Number:

167482-99-7

Molecular Formula:

C17H16N2O2

Molecular Weight:

280.3211

MDL Number:

MFCD08669613

IUPAC Name:

methyl 4-[bis(1H-pyrrol-2-yl)methyl]benzoate

InChI:

InChI=1S/C17H16N2O2/c1-21-17(20)13-8-6-12(7-9-13)16(14-4-2-10-18-14)15-5-3-11-19-15/h2-11,16,18-19H,1H3

InChI Key:

IMQPCUGJFLINEV-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(cc1)C(c1ccc[nH]1)c1ccc[nH]1

Complexity:

337

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

280.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

280.327g/mol

Monoisotopic Mass:

280.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8