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500563-90-6 | (2-iodo-4-nitrophenyl)methanol
CAS No: 500563-90-6 Catalog No: AG01DIP4 MDL No:MFCD18397985
Product Description
Catalog Number:
AG01DIP4
Chemical Name:
(2-iodo-4-nitrophenyl)methanol
CAS Number:
500563-90-6
Molecular Formula:
C7H6INO3
Molecular Weight:
279.0319
MDL Number:
MFCD18397985
IUPAC Name:
(2-iodo-4-nitrophenyl)methanol
InChI:
InChI=1S/C7H6INO3/c8-7-3-6(9(11)12)2-1-5(7)4-10/h1-3,10H,4H2
InChI Key:
UEZHUUBCMWRTBE-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1I)[N+](=O)[O-]
NSC Number:
129604
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
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