AG002CFR

199915-38-3 | Carbon(isothiocyanatidic) acid, 9H-fluoren-9-ylmethyl ester

AG002CFR

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CAS Number	199915-38-3
Catalog Number	AG002CFR(AGN-PC-0L6ALM)
Chemical Name	Carbon(isothiocyanatidic) acid, 9H-fluoren-9-ylmethyl ester
IUPAC Name	9H-fluoren-9-ylmethyl N-(sulfanylidenemethylidene)carbamate
InChI	InChI=1S/C16H11NO2S/c18-16(17-10-20)19-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9H2
InChI Key	DHMYULZVFHHEHE-UHFFFAOYSA-N
MDL Number	MFCD01861169
Molecular Formula	C16H11NO2S
Molecular Weight	281.3290
SMILES	C(=O)(OCC1C2=CC=CC=C2C2=CC=CC=C12)N=C=S
Synonyms	Fmoc isothiocyanate, Fmoc-isothiocyanate, 199915-38-3, 9-Fluorenylmethoxycarbonyl isothiocyanate, 9H-fluoren-9-ylmethyl N-(sulfanylidenemethylidene)carbamate, FMOC isothiocyanate, 97%, O-(9H-fluoren-9-yl)methyl carbonisothiocyanatidate, N-fmoc-isothiocyanate, AC1N4FO7, SCHEMBL248995, CTK4E2972, DTXSID10400012, DHMYULZVFHHEHE-UHFFFAOYSA-N, ZINC2575695, MFCD01861169, 9-Fluorenylmethyl isothiocyanatoformate, AKOS022177710, 9-fluorenylmethoxycarbonylisothiocyanate, FCH3046137, RTR-009303, Fmoc isothiocyanate, >=98.0% (CHN), AJ-42426, SC-88207, fluoren-9-ylmethyloxycarbonyl isothiocyanate, 9H-Fluoren-9-ylmethyl carbonisothiocyanatidate, 9H-Fluorene-9-ylmethoxycarbonyl isothiocyanate, 9H-fluorene-9-ylmethyloxycarbonylisothiocyanate, J-012924, O-((9H-fluoren-9-yl)methyl) carbonisothiocyanatidate, Carbon(isothiocyanatidic) acid, 9H-fluoren-9-ylmethyl ester, C16H11NO2S, CID4154759,

Complexity	397
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	281.051g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	281.329g/mol
Monoisotopic Mass	281.051g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	70.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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