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866996-02-3 | 4-Ethyl-1-iodo-2-methylbenzene
CAS No: 866996-02-3 Catalog No: AG00IE6O MDL No:MFCD27996329
Product Description
Catalog Number:
AG00IE6O
Chemical Name:
4-Ethyl-1-iodo-2-methylbenzene
CAS Number:
866996-02-3
Molecular Formula:
C9H11I
Molecular Weight:
246.0881
MDL Number:
MFCD27996329
IUPAC Name:
4-ethyl-1-iodo-2-methylbenzene
InChI:
InChI=1S/C9H11I/c1-3-8-4-5-9(10)7(2)6-8/h4-6H,3H2,1-2H3
InChI Key:
HNFFMNJLZFMPAN-UHFFFAOYSA-N
SMILES:
CCc1ccc(c(c1)C)I
Properties
Complexity:
101
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:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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