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214279-40-0 | 3-IODO-4-NITROANISOLE
CAS No: 214279-40-0 Catalog No: AG00C1WX MDL No:MFCD01320682
Product Description
Catalog Number:
AG00C1WX
Chemical Name:
3-IODO-4-NITROANISOLE
CAS Number:
214279-40-0
Molecular Formula:
C7H6INO3
Molecular Weight:
279.0319
MDL Number:
MFCD01320682
IUPAC Name:
2-iodo-4-methoxy-1-nitrobenzene
InChI:
InChI=1S/C7H6INO3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
InChI Key:
NLTAHTYBZZSCIT-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)I)[N+](=O)[O-]
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.939g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.033g/mol
Monoisotopic Mass:
278.939g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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