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144631-04-9 | Benzamide, N-[2-(2-bromophenyl)ethyl]-2-iodo-
CAS No: 144631-04-9 Catalog No: AG001JVI MDL No:
Product Description
Catalog Number:
AG001JVI
Chemical Name:
Benzamide, N-[2-(2-bromophenyl)ethyl]-2-iodo-
CAS Number:
144631-04-9
Molecular Formula:
C15H13BrINO
Molecular Weight:
430.0783
IUPAC Name:
N-[2-(2-bromophenyl)ethyl]-2-iodobenzamide
InChI:
InChI=1S/C15H13BrINO/c16-13-7-3-1-5-11(13)9-10-18-15(19)12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H,18,19)
InChI Key:
KQLPARVIUCLGBV-UHFFFAOYSA-N
SMILES:
Brc1ccccc1CCNC(=O)c1ccccc1I
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.923g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
430.083g/mol
Monoisotopic Mass:
428.923g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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