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85609-09-2 | 1-Iodo-4-isobutylbenzene
CAS No: 85609-09-2 Catalog No: AG00513L MDL No:
Product Description
Catalog Number:
AG00513L
Chemical Name:
1-Iodo-4-isobutylbenzene
CAS Number:
85609-09-2
Molecular Formula:
C10H13I
Molecular Weight:
260.1147
IUPAC Name:
1-iodo-4-(2-methylpropyl)benzene
InChI:
InChI=1S/C10H13I/c1-8(2)7-9-3-5-10(11)6-4-9/h3-6,8H,7H2,1-2H3
InChI Key:
YLXHPJSTZKDDLN-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)I)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.006g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.118g/mol
Monoisotopic Mass:
260.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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