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860585-81-5 | 4-Iodo-2-methoxy-1-nitrobenzene
CAS No: 860585-81-5 Catalog No: AG00IDVV MDL No:MFCD18397934
Product Description
Catalog Number:
AG00IDVV
Chemical Name:
4-Iodo-2-methoxy-1-nitrobenzene
CAS Number:
860585-81-5
Molecular Formula:
C7H6INO3
Molecular Weight:
279.0319
MDL Number:
MFCD18397934
IUPAC Name:
4-iodo-2-methoxy-1-nitrobenzene
InChI:
InChI=1S/C7H6INO3/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H3
InChI Key:
HIXMWPAZDDJWNC-UHFFFAOYSA-N
SMILES:
COc1cc(I)ccc1[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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