2-methyl-6-nitrobenzoyl chloride

2-methyl-6-nitrobenzoyl chloride

CAS: 66232-57-3

Formula: C8H6ClNO3

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

IUPAC: 2-methyl-6-nitrobenzoyl chloride

InChI: InChI=1S/C8H6ClNO3/c1-5-3-2-4-6(10(12)13)7(5)8(9)11/h2-4H,1H3

Composition: C (48.14%), H (3.03%), Cl (17.76%), N (7.02%), O (24.05%)

Molar Mass: 199.59

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.0036208
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ZMAJSTDJAIVHGZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.53
Topological Polar Surface Area	60.21
Polarizability	17.83
Ring Count	1
Rotatable Bond Count	2

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