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163852-04-8 | 2-Propen-1-one, 1-(3-bromophenyl)-3-(dimethylamino)-
CAS No: 163852-04-8 Catalog No: AG001UG0 MDL No:
Product Description
Catalog Number:
AG001UG0
Chemical Name:
2-Propen-1-one, 1-(3-bromophenyl)-3-(dimethylamino)-
CAS Number:
163852-04-8
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
IUPAC Name:
1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one
InChI:
InChI=1S/C11H12BrNO/c1-13(2)7-6-11(14)9-4-3-5-10(12)8-9/h3-8H,1-2H3
InChI Key:
FBICCVMQKCGCST-UHFFFAOYSA-N
SMILES:
CN(C=CC(=O)c1cccc(c1)Br)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.127g/mol
Monoisotopic Mass:
253.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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