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29170-08-9 | 1,1'-Biphenyl, 4-iodo-4'-nitro-
CAS No: 29170-08-9 Catalog No: AG002XJY MDL No:MFCD00024698
Product Description
Catalog Number:
AG002XJY
Chemical Name:
1,1'-Biphenyl, 4-iodo-4'-nitro-
CAS Number:
29170-08-9
Molecular Formula:
C12H8INO2
Molecular Weight:
325.1019
MDL Number:
MFCD00024698
IUPAC Name:
1-(4-iodophenyl)-4-nitrobenzene
InChI:
InChI=1S/C12H8INO2/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(15)16/h1-8H
InChI Key:
YEDVRRNLTGKJSW-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)c1ccc(cc1)[N+](=O)[O-]
EC Number:
249-480-5
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.96g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.105g/mol
Monoisotopic Mass:
324.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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