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879612-71-2 | N-Benzo[1,3]dioxol-5-yl-2-bromo-propionamide
CAS No: 879612-71-2 Catalog No: AG01FASC MDL No:
Product Description
Catalog Number:
AG01FASC
Chemical Name:
N-Benzo[1,3]dioxol-5-yl-2-bromo-propionamide
CAS Number:
879612-71-2
Molecular Formula:
C10H10BrNO3
Molecular Weight:
272.0953
IUPAC Name:
N-(1,3-benzodioxol-5-yl)-2-bromopropanamide
InChI:
InChI=1S/C10H10BrNO3/c1-6(11)10(13)12-7-2-3-8-9(4-7)15-5-14-8/h2-4,6H,5H2,1H3,(H,12,13)
InChI Key:
ZLIIJJYUCRQVHT-UHFFFAOYSA-N
SMILES:
O=C(C(Br)C)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:
270.984g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.098g/mol
Monoisotopic Mass:
270.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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