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4484-74-6 | Benzene,1-(iodomethyl)-4-methyl-
CAS No: 4484-74-6 Catalog No: AG00718R MDL No:MFCD00972013
Product Description
Catalog Number:
AG00718R
Chemical Name:
Benzene,1-(iodomethyl)-4-methyl-
CAS Number:
4484-74-6
Molecular Formula:
C8H9I
Molecular Weight:
232.0615
MDL Number:
MFCD00972013
IUPAC Name:
1-(iodomethyl)-4-methylbenzene
InChI:
InChI=1S/C8H9I/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3
InChI Key:
YVJQXZQIGSNYKS-UHFFFAOYSA-N
SMILES:
ICc1ccc(cc1)C
NSC Number:
56730
Properties
Complexity:
72.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.975g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.064g/mol
Monoisotopic Mass:
231.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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