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111938-17-1 | 1,3-Benzenediamine, 5-iodo-
CAS No: 111938-17-1 Catalog No: AG007V9E MDL No:MFCD09036307
Product Description
Catalog Number:
AG007V9E
Chemical Name:
1,3-Benzenediamine, 5-iodo-
CAS Number:
111938-17-1
Molecular Formula:
C6H7IN2
Molecular Weight:
234.0377
MDL Number:
MFCD09036307
IUPAC Name:
5-iodobenzene-1,3-diamine
InChI:
InChI=1S/C6H7IN2/c7-4-1-5(8)3-6(9)2-4/h1-3H,8-9H2
InChI Key:
JYDAWJKJURFTTH-UHFFFAOYSA-N
SMILES:
Nc1cc(N)cc(c1)I
NSC Number:
80185
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.965g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.04g/mol
Monoisotopic Mass:
233.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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