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4-nitrophenyl carbonochloridate

4-nitrophenyl carbonochloridate

CAS: 7693-46-1

Formula: C7H4ClNO4

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

IUPAC: 4-nitrophenyl carbonochloridate

InChI: InChI=1S/C7H4ClNO4/c8-7(10)13-6-3-1-5(2-4-6)9(11)12/h1-4H

Composition: C (41.71%), H (2.00%), Cl (17.59%), N (6.95%), O (31.75%)

Molar Mass: 201.56

Atom Count: 17

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 200.9828853
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey NXLNNXIXOYSCMB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.22
Topological Polar Surface Area 69.44
Polarizability 16.87
Ring Count 1
Rotatable Bond Count 3

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