(4-carbamimidoylphenyl)methanesulfonyl fluoride hydrochloride

(4-carbamimidoylphenyl)methanesulfonyl fluoride hydrochloride

CAS: 74938-88-8

Formula: C8H10ClFN2O2S

SMILES: Cl.NC(=N)C1=CC=C(CS(F)(=O)=O)C=C1

IUPAC: (4-carbamimidoylphenyl)methanesulfonyl fluoride hydrochloride

InChI: InChI=1S/C8H9FN2O2S.ClH/c9-14(12,13)5-6-1-3-7(4-2-6)8(10)11;/h1-4H,5H2,(H3,10,11);1H

Composition: C (38.03%), H (3.99%), Cl (14.03%), F (7.52%), N (11.09%), O (12.66%), S (12.69%)

Molar Mass: 252.69

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	252.0135546
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	KHLLRHIUKOJXLL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.88
Topological Polar Surface Area	84.01
Polarizability	19.85
Ring Count	1
Rotatable Bond Count	3

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