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89780-32-5 | Butanamide, N-1,3-benzodioxol-5-yl-4-chloro-
CAS No: 89780-32-5 Catalog No: AG003YNX MDL No:
Product Description
Catalog Number:
AG003YNX
Chemical Name:
Butanamide, N-1,3-benzodioxol-5-yl-4-chloro-
CAS Number:
89780-32-5
Molecular Formula:
C11H12ClNO3
Molecular Weight:
241.6709
IUPAC Name:
N-(1,3-benzodioxol-5-yl)-4-chlorobutanamide
InChI:
InChI=1S/C11H12ClNO3/c12-5-1-2-11(14)13-8-3-4-9-10(6-8)16-7-15-9/h3-4,6H,1-2,5,7H2,(H,13,14)
InChI Key:
DYWUTDRBTMAETQ-UHFFFAOYSA-N
SMILES:
ClCCCC(=O)Nc1ccc2c(c1)OCO2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.671g/mol
Monoisotopic Mass:
241.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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