3,5-dinitrobenzoyl chloride

3,5-dinitrobenzoyl chloride

CAS: 99-33-2

Formula: C7H3ClN2O5

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

IUPAC: 3,5-dinitrobenzoyl chloride

InChI: InChI=1S/C7H3ClN2O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H

Composition: C (36.47%), H (1.31%), Cl (15.38%), N (12.15%), O (34.70%)

Molar Mass: 230.56

Atom Count: 18

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.9730489
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	NNOHXABAQAGKRZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.81
Topological Polar Surface Area	103.35
Polarizability	18.18
Ring Count	1
Rotatable Bond Count	3

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