1,3,5-trichloro-2-isocyanatobenzene

1,3,5-trichloro-2-isocyanatobenzene

CAS: 2505-31-9

Formula: C7H2Cl3NO

SMILES: ClC1=CC(Cl)=C(N=C=O)C(Cl)=C1

IUPAC: 1,3,5-trichloro-2-isocyanatobenzene

InChI: InChI=1S/C7H2Cl3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H

Composition: C (37.80%), H (0.91%), Cl (47.81%), N (6.30%), O (7.19%)

Molar Mass: 222.45

Atom Count: 14

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	220.9201968
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	VDYWXVDWKFAUKE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.54
Topological Polar Surface Area	29.43
Polarizability	18.5
Ring Count	1
Rotatable Bond Count	1

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