1,2-difluoro-4-isocyanatobenzene

1,2-difluoro-4-isocyanatobenzene

CAS: 42601-04-7

Formula: C7H3F2NO

SMILES: FC1=C(F)C=C(C=C1)N=C=O

IUPAC: 1,2-difluoro-4-isocyanatobenzene

InChI: InChI=1S/C7H3F2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H

Composition: C (54.21%), H (1.95%), F (24.50%), N (9.03%), O (10.32%)

Molar Mass: 155.104

Atom Count: 14

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	155.018270047
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YBWJVFMNWMLZEN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.56
Topological Polar Surface Area	29.43
Polarizability	12.2
Ring Count	1
Rotatable Bond Count	1

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