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185994-27-8

185994-27-8 | Benzenemethanol,5-(3-iodopropoxy)-2-nitro-

CAS No: 185994-27-8 Catalog No: AG007SRX MDL No:

Product Description

Catalog Number:
AG007SRX
Chemical Name:
Benzenemethanol,5-(3-iodopropoxy)-2-nitro-
CAS Number:
185994-27-8
Molecular Formula:
C10H12INO4
Molecular Weight:
337.1111
IUPAC Name:
[5-(3-iodopropoxy)-2-nitrophenyl]methanol
InChI:
InChI=1S/C10H12INO4/c11-4-1-5-16-9-2-3-10(12(14)15)8(6-9)7-13/h2-3,6,13H,1,4-5,7H2
InChI Key:
GNERSTKDYGSZNN-UHFFFAOYSA-N
SMILES:
ICCCOc1ccc(c(c1)CO)[N+](=O)[O-]

Properties

Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.981g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
337.113g/mol
Monoisotopic Mass:
336.981g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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