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41381-34-4 | 5-Iodo-1,2,3-trimethylbenzene
CAS No: 41381-34-4 Catalog No: AG00CNK4 MDL No:MFCD27996326
Product Description
Catalog Number:
AG00CNK4
Chemical Name:
5-Iodo-1,2,3-trimethylbenzene
CAS Number:
41381-34-4
Molecular Formula:
C9H11I
Molecular Weight:
246.0881
MDL Number:
MFCD27996326
IUPAC Name:
5-iodo-1,2,3-trimethylbenzene
InChI:
InChI=1S/C9H11I/c1-6-4-9(10)5-7(2)8(6)3/h4-5H,1-3H3
InChI Key:
BFHXBVNGIPRSFF-UHFFFAOYSA-N
SMILES:
Ic1cc(C)c(c(c1)C)C
Properties
Complexity:
99.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.991g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.091g/mol
Monoisotopic Mass:
245.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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