Home Nitros methyl 2-hydroxy-3-iodo-5-nitrobenzoate

methyl 2-hydroxy-3-iodo-5-nitrobenzoate

CAS No.:
1644464-87-8
Catalog Number:
AG01EMKI
Molecular Formula:
C8H6INO5
Molecular Weight:
323.0414
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Product Description
Catalog Number:
AG01EMKI
Chemical Name:
methyl 2-hydroxy-3-iodo-5-nitrobenzoate
CAS Number:
1644464-87-8
Molecular Formula:
C8H6INO5
Molecular Weight:
323.0414
MDL Number:
MFCD31616547
IUPAC Name:
methyl 2-hydroxy-3-iodo-5-nitrobenzoate
InChI:
InChI=1S/C8H6INO5/c1-15-8(12)5-2-4(10(13)14)3-6(9)7(5)11/h2-3,11H,1H3
InChI Key:
TYXZFXVSRQYVPR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1O)I)[N+](=O)[O-]
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.929g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
323.042g/mol
Monoisotopic Mass:
322.929g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties