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140700-65-8 | Propanamide, 2-iodo-N-[(4-methylphenyl)methyl]-
CAS No: 140700-65-8 Catalog No: AG001CPX MDL No:
Product Description
Catalog Number:
AG001CPX
Chemical Name:
Propanamide, 2-iodo-N-[(4-methylphenyl)methyl]-
CAS Number:
140700-65-8
Molecular Formula:
C11H14INO
Molecular Weight:
303.1394
IUPAC Name:
2-iodo-N-[(4-methylphenyl)methyl]propanamide
InChI:
InChI=1S/C11H14INO/c1-8-3-5-10(6-4-8)7-13-11(14)9(2)12/h3-6,9H,7H2,1-2H3,(H,13,14)
InChI Key:
LOWACAXKNCNOHM-UHFFFAOYSA-N
SMILES:
O=C(C(I)C)NCc1ccc(cc1)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.143g/mol
Monoisotopic Mass:
303.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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