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1,3-dichloro-2-isocyanatobenzene

1,3-dichloro-2-isocyanatobenzene

CAS: 39920-37-1

Formula: C7H3Cl2NO

SMILES: ClC1=CC=CC(Cl)=C1N=C=O

IUPAC: 1,3-dichloro-2-isocyanatobenzene

InChI: InChI=1S/C7H3Cl2NO/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H

Composition: C (44.72%), H (1.61%), Cl (37.71%), N (7.45%), O (8.51%)

Molar Mass: 188.01

Atom Count: 14

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 186.9591691
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey HMVKMAMIRAVXAN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.74
Topological Polar Surface Area 29.43
Polarizability 16.53
Ring Count 1
Rotatable Bond Count 1

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