1,3-dichloro-2-methyl-4-nitrobenzene

1,3-dichloro-2-methyl-4-nitrobenzene

CAS: 29682-46-0

Formula: C7H5Cl2NO2

SMILES: CC1=C(Cl)C(=CC=C1Cl)[N+]([O-])=O

IUPAC: 1,3-dichloro-2-methyl-4-nitrobenzene

InChI: InChI=1S/C7H5Cl2NO2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,1H3

Composition: C (40.81%), H (2.45%), Cl (34.41%), N (6.80%), O (15.53%)

Molar Mass: 206.02

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	204.9697338
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	WBNZUUIFTPNYRN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.03
Topological Polar Surface Area	43.14
Polarizability	17.88
Ring Count	1
Rotatable Bond Count	1

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