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72261-40-6 | 2-Propenamide, 3-bromo-N-methyl-, (E)-
CAS No: 72261-40-6 Catalog No: AG005IGF MDL No:
Product Description
Catalog Number:
AG005IGF
Chemical Name:
2-Propenamide, 3-bromo-N-methyl-, (E)-
CAS Number:
72261-40-6
Molecular Formula:
C4H6BrNO
Molecular Weight:
164.0005
IUPAC Name:
3-bromo-N-methylprop-2-enamide
InChI:
InChI=1S/C4H6BrNO/c1-6-4(7)2-3-5/h2-3H,1H3,(H,6,7)
InChI Key:
DGAAAIYYBVNOHU-UHFFFAOYSA-N
SMILES:
CNC(=O)/C=C/Br
Properties
Complexity:
89.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.963g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.002g/mol
Monoisotopic Mass:
162.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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