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827574-31-2 | 2-Butenamide, 2-acetyl-3-(4-bromophenyl)-N,N-dimethyl-, (2Z)-
CAS No: 827574-31-2 Catalog No: AG004USE MDL No:
Product Description
Catalog Number:
AG004USE
Chemical Name:
2-Butenamide, 2-acetyl-3-(4-bromophenyl)-N,N-dimethyl-, (2Z)-
CAS Number:
827574-31-2
Molecular Formula:
C14H16BrNO2
Molecular Weight:
310.1863
IUPAC Name:
2-acetyl-3-(4-bromophenyl)-N,N-dimethylbut-2-enamide
InChI:
InChI=1S/C14H16BrNO2/c1-9(11-5-7-12(15)8-6-11)13(10(2)17)14(18)16(3)4/h5-8H,1-4H3
InChI Key:
YHKYHOPMARKKLH-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)/C(=C(\C(=O)N(C)C)/C(=O)C)/C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.191g/mol
Monoisotopic Mass:
309.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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