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69951-01-5 | 2-Iodo-1,4-benzenediamine
CAS No: 69951-01-5 Catalog No: AG005T1C MDL No:MFCD04971329
Product Description
Catalog Number:
AG005T1C
Chemical Name:
2-Iodo-1,4-benzenediamine
CAS Number:
69951-01-5
Molecular Formula:
C6H7IN2
Molecular Weight:
234.0377
MDL Number:
MFCD04971329
IUPAC Name:
2-iodobenzene-1,4-diamine
InChI:
InChI=1S/C6H7IN2/c7-5-3-4(8)1-2-6(5)9/h1-3H,8-9H2
InChI Key:
CAAOWHHLKPUWHW-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)I)N
Properties
Complexity:
97.1
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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