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290301-40-5 | Cyclohexanone, 4-[(2-bromo-2-propen-1-yl)(phenylmethyl)amino]-
CAS No: 290301-40-5 Catalog No: AG002V96 MDL No:
Product Description
Catalog Number:
AG002V96
Chemical Name:
Cyclohexanone, 4-[(2-bromo-2-propen-1-yl)(phenylmethyl)amino]-
CAS Number:
290301-40-5
Molecular Formula:
C16H20BrNO
Molecular Weight:
322.2401
IUPAC Name:
4-[benzyl(2-bromoprop-2-enyl)amino]cyclohexan-1-one
InChI:
InChI=1S/C16H20BrNO/c1-13(17)11-18(12-14-5-3-2-4-6-14)15-7-9-16(19)10-8-15/h2-6,15H,1,7-12H2
InChI Key:
XSONZBHRPOVUDA-UHFFFAOYSA-N
SMILES:
BrC(=C)CN(C1CCC(=O)CC1)Cc1ccccc1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.246g/mol
Monoisotopic Mass:
321.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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