(4-nitrophenyl)methyl carbonochloridate

(4-nitrophenyl)methyl carbonochloridate

CAS: 4457-32-3

Formula: C8H6ClNO4

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

IUPAC: (4-nitrophenyl)methyl carbonochloridate

InChI: InChI=1S/C8H6ClNO4/c9-8(11)14-5-6-1-3-7(4-2-6)10(12)13/h1-4H,5H2

Composition: C (44.57%), H (2.81%), Cl (16.44%), N (6.50%), O (29.68%)

Molar Mass: 215.59

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.9985354
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	MHSGOABISYIYKP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.06
Topological Polar Surface Area	69.44
Polarizability	18.69
Ring Count	1
Rotatable Bond Count	4

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