Home Nitros Benzenemethanol, 3-iodo-5-nitro-

Benzenemethanol, 3-iodo-5-nitro-

CAS No.:
219589-42-1
Catalog Number:
AG00I49M
Molecular Formula:
C7H6INO3
Molecular Weight:
279.0319
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Product Description
Catalog Number:
AG00I49M
Chemical Name:
Benzenemethanol, 3-iodo-5-nitro-
CAS Number:
219589-42-1
Molecular Formula:
C7H6INO3
Molecular Weight:
279.0319
MDL Number:
MFCD18397990
IUPAC Name:
(3-iodo-5-nitrophenyl)methanol
InChI:
InChI=1S/C7H6INO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-3,10H,4H2
InChI Key:
UQEGCABWCVSZPO-UHFFFAOYSA-N
SMILES:
OCc1cc(I)cc(c1)[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:
1  
Isotope Atom Count:
0
Molecular Weight:
279.033g/mol
Monoisotopic Mass:
278.939g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties