Name: Name:1-[1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one
Brand: Angene
SKU: AG00ICDC
Rating: 90 (10 reviews)

1-[1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one

CAS No.:

731826-79-2

Catalog Number:

AG00ICDC

Molecular Formula:

C16H16ClNO3

Molecular Weight:

305.7561

Catalog Number:

AG00ICDC

Chemical Name:

1-[1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one

CAS Number:

731826-79-2

Molecular Formula:

C16H16ClNO3

Molecular Weight:

305.7561

MDL Number:

MFCD04632036

IUPAC Name:

1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-chloroethanone

InChI:

InChI=1S/C16H16ClNO3/c1-10-5-13(14(19)7-17)11(2)18(10)8-12-3-4-15-16(6-12)21-9-20-15/h3-6H,7-9H2,1-2H3

InChI Key:

QRKFJGQGFQQWKF-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1cc(n(c1C)Cc1ccc2c(c1)OCO2)C

Complexity:

392

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

305.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

305.758g/mol

Monoisotopic Mass:

305.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2