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2-chloro-1-isocyanato-3-nitrobenzene

2-chloro-1-isocyanato-3-nitrobenzene

Formula: C7H3ClN2O3

SMILES: [O-][N+](=O)C1=CC=CC(N=C=O)=C1Cl

IUPAC: 2-chloro-1-isocyanato-3-nitrobenzene

InChI: InChI=1S/C7H3ClN2O3/c8-7-5(9-4-11)2-1-3-6(7)10(12)13/h1-3H

Composition: C (42.34%), H (1.52%), Cl (17.85%), N (14.11%), O (24.17%)

Molar Mass: 198.56

Atom Count: 16

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 197.9832197
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey FWOFFOGCCHNWPW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.26
Topological Polar Surface Area 72.57
Polarizability 16.63
Ring Count 1
Rotatable Bond Count 2

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C7H3ClN2O3 $3,300.00-$5,418.00$3,300.00$4,576.00$5,418.00
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