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1591-31-7 | 1,1'-Biphenyl, 4-iodo-
CAS No: 1591-31-7 Catalog No: AG001QHF MDL No:MFCD00019028
Product Description
Catalog Number:
AG001QHF
Chemical Name:
1,1'-Biphenyl, 4-iodo-
CAS Number:
1591-31-7
Molecular Formula:
C12H9I
Molecular Weight:
280.1043
MDL Number:
MFCD00019028
IUPAC Name:
1-iodo-4-phenylbenzene
InChI:
InChI=1S/C12H9I/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChI Key:
NXYICUMSYKIABQ-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)c1ccccc1
EC Number:
216-469-1
NSC Number:
3791
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.975g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.108g/mol
Monoisotopic Mass:
279.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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