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518350-15-7 | 3-[5-(3-Bromophenyl)-2-furanyl]-2-cyano-N-methyl-2-propenamide
CAS No: 518350-15-7 Catalog No: AG01EWBC MDL No:
Product Description
Catalog Number:
AG01EWBC
Chemical Name:
3-[5-(3-Bromophenyl)-2-furanyl]-2-cyano-N-methyl-2-propenamide
CAS Number:
518350-15-7
Molecular Formula:
C15H11BrN2O2
Molecular Weight:
331.1640
IUPAC Name:
(E)-3-[5-(3-bromophenyl)furan-2-yl]-2-cyano-N-methylprop-2-enamide
InChI:
InChI=1S/C15H11BrN2O2/c1-18-15(19)11(9-17)8-13-5-6-14(20-13)10-3-2-4-12(16)7-10/h2-8H,1H3,(H,18,19)/b11-8+
InChI Key:
NDPPMBZGQVYQEF-DHZHZOJOSA-N
SMILES:
N#C/C(=C\c1ccc(o1)c1cccc(c1)Br)/C(=O)NC
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
330g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.169g/mol
Monoisotopic Mass:
330g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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