5-chloro-4-methyl-2-nitrophenol

5-chloro-4-methyl-2-nitrophenol

CAS: 100278-74-8

Formula: C7H6ClNO3

SMILES: CC1=C(Cl)C=C(O)C(=C1)[N+]([O-])=O

IUPAC: 5-chloro-4-methyl-2-nitrophenol

InChI: InChI=1S/C7H6ClNO3/c1-4-2-6(9(11)12)7(10)3-5(4)8/h2-3,10H,1H3

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	SETJTGJUNMPFCU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.21
Topological Polar Surface Area	63.37
Polarizability	16.57
Ring Count	1
Rotatable Bond Count	1

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