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(3-chloro-5-nitrophenyl)methanol

(3-chloro-5-nitrophenyl)methanol

CAS: 79944-62-0

Formula: C7H6ClNO3

SMILES: OCC1=CC(Cl)=CC(=C1)[N+]([O-])=O

IUPAC: (3-chloro-5-nitrophenyl)methanol

InChI: InChI=1S/C7H6ClNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-3,10H,4H2

Composition: C (44.82%), H (3.22%), Cl (18.90%), N (7.47%), O (25.59%)

Molar Mass: 187.58

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 187.0036208
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LKBQUSJJIYIBDP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44
Topological Polar Surface Area 63.37
Polarizability 16.64
Ring Count 1
Rotatable Bond Count 2

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