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aebsf hydrochloride

aebsf hydrochloride

CAS: 30827-99-7

Formula: C8H11ClFNO2S

SMILES: Cl[H].NCCC1=CC=C(C=C1)S(F)(=O)=O

IUPAC: 4-(2-aminoethyl)benzene-1-sulfonyl fluoride hydrochloride

InChI: InChI=1S/C8H10FNO2S.ClH/c9-13(11,12)8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H

Composition: C (40.09%), H (4.63%), Cl (14.79%), F (7.93%), N (5.84%), O (13.35%), S (13.38%)

Molar Mass: 239.69

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 239.0183056
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WRDABNWSWOHGMS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.85
Topological Polar Surface Area 60.16
Polarizability 19.36
Ring Count 1
Rotatable Bond Count 3

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