1-fluoro-3-isocyanatobenzene

1-fluoro-3-isocyanatobenzene

CAS: 404-71-7

Formula: C7H4FNO

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

IUPAC: 1-fluoro-3-isocyanatobenzene

InChI: InChI=1S/C7H4FNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H

Composition: C (61.32%), H (2.94%), F (13.86%), N (10.22%), O (11.67%)

Molar Mass: 137.113

Atom Count: 14

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	137.027691916
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RIKWVZGZRYDACA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.35
Topological Polar Surface Area	29.43
Polarizability	12.36
Ring Count	1
Rotatable Bond Count	1

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