1-chloro-2-fluoro-3-isocyanatobenzene

1-chloro-2-fluoro-3-isocyanatobenzene

CAS: 69922-25-4

Formula: C7H3ClFNO

SMILES: FC1=C(C=CC=C1Cl)N=C=O

IUPAC: 1-chloro-2-fluoro-3-isocyanatobenzene

InChI: InChI=1S/C7H3ClFNO/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H

Composition: C (49.01%), H (1.76%), Cl (20.66%), F (11.07%), N (8.16%), O (9.33%)

Molar Mass: 171.56

Atom Count: 14

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.9887196
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	SPMPFFGBFMAFOO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.15
Topological Polar Surface Area	29.43
Polarizability	14.36
Ring Count	1
Rotatable Bond Count	1

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