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1038730-98-1 | 2-iodo-N-[1-(thiophen-2-yl)ethyl]aniline
CAS No: 1038730-98-1 Catalog No: AG01AYG8 MDL No:MFCD11194401
Product Description
Catalog Number:
AG01AYG8
Chemical Name:
2-iodo-N-[1-(thiophen-2-yl)ethyl]aniline
CAS Number:
1038730-98-1
Molecular Formula:
C12H12INS
Molecular Weight:
329.1999
MDL Number:
MFCD11194401
IUPAC Name:
2-iodo-N-(1-thiophen-2-ylethyl)aniline
InChI:
InChI=1S/C12H12INS/c1-9(12-7-4-8-15-12)14-11-6-3-2-5-10(11)13/h2-9,14H,1H3
InChI Key:
GDBATGROCRLVCV-UHFFFAOYSA-N
SMILES:
CC(c1cccs1)Nc1ccccc1I
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.199g/mol
Monoisotopic Mass:
328.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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