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50590-07-3 | 3-Iodo-4-nitrophenol
CAS No: 50590-07-3 Catalog No: AG0037SN MDL No:MFCD11617270
Product Description
Catalog Number:
AG0037SN
Chemical Name:
3-Iodo-4-nitrophenol
CAS Number:
50590-07-3
Molecular Formula:
C6H4INO3
Molecular Weight:
265.0053
MDL Number:
MFCD11617270
IUPAC Name:
3-iodo-4-nitrophenol
InChI:
InChI=1S/C6H4INO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H
InChI Key:
FIWCMSJAIDKMNX-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)I)[N+](=O)[O-]
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.924g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.006g/mol
Monoisotopic Mass:
264.924g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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