Name: Name:7-(1-ethyl-1H-pyrazol-5-yl)-2H-1,3-benzodioxole-5-carbaldehyde
Brand: Angene
SKU: AG01B744
Rating: 90 (10 reviews)

7-(1-ethyl-1H-pyrazol-5-yl)-2H-1,3-benzodioxole-5-carbaldehyde

CAS No.:

2044773-78-4

Catalog Number:

AG01B744

Molecular Formula:

C13H12N2O3

Molecular Weight:

244.2460

Catalog Number:

AG01B744

Chemical Name:

7-(1-ethyl-1H-pyrazol-5-yl)-2H-1,3-benzodioxole-5-carbaldehyde

CAS Number:

2044773-78-4

Molecular Formula:

C13H12N2O3

Molecular Weight:

244.2460

MDL Number:

MFCD30476143

IUPAC Name:

7-(2-ethylpyrazol-3-yl)-1,3-benzodioxole-5-carbaldehyde

InChI:

InChI=1S/C13H12N2O3/c1-2-15-11(3-4-14-15)10-5-9(7-16)6-12-13(10)18-8-17-12/h3-7H,2,8H2,1H3

InChI Key:

GXSFMLMXIXEAHZ-UHFFFAOYSA-N

SMILES:

O=Cc1cc2OCOc2c(c1)c1ccnn1CC

Complexity:

313

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

244.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

244.25g/mol

Monoisotopic Mass:

244.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5