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857335-90-1 | 1-Iodo-2-isopropoxy-benzene
CAS No: 857335-90-1 Catalog No: AG00G9CI MDL No:MFCD11850281
Product Description
Catalog Number:
AG00G9CI
Chemical Name:
1-Iodo-2-isopropoxy-benzene
CAS Number:
857335-90-1
Molecular Formula:
C9H11IO
Molecular Weight:
262.0875
MDL Number:
MFCD11850281
IUPAC Name:
1-iodo-2-propan-2-yloxybenzene
InChI:
InChI=1S/C9H11IO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7H,1-2H3
InChI Key:
JZXUAZVWPIWITF-UHFFFAOYSA-N
SMILES:
CC(Oc1ccccc1I)C
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.985g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.09g/mol
Monoisotopic Mass:
261.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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