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616216-96-7 | (2E)-3-(2-iodophenyl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CAS No: 616216-96-7 Catalog No: AG00IWIR MDL No:MFCD28098225
Product Description
Catalog Number:
AG00IWIR
Chemical Name:
(2E)-3-(2-iodophenyl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CAS Number:
616216-96-7
Molecular Formula:
C14H17IN2O
Molecular Weight:
356.2020
MDL Number:
MFCD28098225
IUPAC Name:
(E)-3-(2-iodophenyl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
InChI:
InChI=1S/C14H17IN2O/c1-16-8-10-17(11-9-16)14(18)7-6-12-4-2-3-5-13(12)15/h2-7H,8-11H2,1H3/b7-6+
InChI Key:
CYCVHRPNSSGKQQ-VOTSOKGWSA-N
SMILES:
CN1CCN(CC1)C(=O)/C=C/c1ccccc1I
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
356.039g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.207g/mol
Monoisotopic Mass:
356.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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