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(2-iodo-4-nitrophenyl)methanol

(2-iodo-4-nitrophenyl)methanol

CAS: 500563-90-6

Formula: C7H6INO3

SMILES: OCC1=C(I)C=C(C=C1)[N+]([O-])=O

IUPAC: (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

Composition: C (30.13%), H (2.17%), I (45.48%), N (5.02%), O (17.20%)

Molar Mass: 279.033

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 278.93924
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey UEZHUUBCMWRTBE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.56
Topological Polar Surface Area 63.37
Polarizability 20.08
Ring Count 1
Rotatable Bond Count 2

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