AG000I5L

1190965-20-8 | 5-Chloro-3H-spiro[isobenzofuran-1,4'-piperidine] hydrochloride

AG000I5L

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CAS Number	1190965-20-8
Catalog Number	AG000I5L(AGN-PC-0BS7F7)
Chemical Name	5-Chloro-3H-spiro[isobenzofuran-1,4'-piperidine] hydrochloride
IUPAC Name	6-chlorospiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
InChI	InChI=1S/C12H14ClNO.ClH/c13-10-1-2-11-9(7-10)8-15-12(11)3-5-14-6-4-12;/h1-2,7,14H,3-6,8H2;1H
InChI Key	NFTNNBIFCJHYIW-UHFFFAOYSA-N
MDL Number	MFCD20921940
Molecular Formula	C12H15Cl2NO
Molecular Weight	260.1596
SMILES	ClC1=CC2=C(C3(CCNCC3)OC2)C=C1.[H]Cl
Synonyms	5-chloro-3H-spiro[isobenzofuran-1,4'-piperidine] hydrochloride, 1190965-20-8, AK-54423, CTK4B1072, DTXSID50721314, 3261AA, ANW-52599, MFCD20921940, AKOS015999822, DS-14466, AX8215850, ST2411955, TC-141344, AM20020268, FT-0747285, 5-chloro-3H-spiro[2-benzofuran-1,4'-piperidine] hydrochloride, 5-Chloro-3H-spiro[isobenzo[b]furan-1,4'-piperidine] hydrochloride, 5-Chloro-3H-spiro[2-benzofuran-1,4'-piperidine]--hydrogen chloride (1/1), Spiro[isobenzofuran-1(3H),4'-piperidine], 5-chloro-, hydrochloride (1:1), C12H15Cl2NO, 5-Chloro-3H-spiro[isobenzofuran-1,4'-piperidine]hydrochloride,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.053g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	260.158g/mol
Monoisotopic Mass	259.053g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	21.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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