(3-chloro-2-nitrophenyl)methanol

(3-chloro-2-nitrophenyl)methanol

CAS: 77158-86-2

Formula: C7H6ClNO3

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

IUPAC: (3-chloro-2-nitrophenyl)methanol

InChI: InChI=1S/C7H6ClNO3/c8-6-3-1-2-5(4-10)7(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	ZSMDJSXEFYWXPD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44
Topological Polar Surface Area	63.37
Polarizability	16.67
Ring Count	1
Rotatable Bond Count	2

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