AG00ABF6

16263-54-0 | 3,6-DICHLORO-1,2-BENZISOXAZOLE

AG00ABF6

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CAS Number	16263-54-0
Catalog Number	AG00ABF6(AGN-PC-00N3V9)
Chemical Name	3,6-DICHLORO-1,2-BENZISOXAZOLE
IUPAC Name	3,6-dichloro-1,2-benzoxazole
InChI	InChI=1S/C7H3Cl2NO/c8-4-1-2-5-6(3-4)11-10-7(5)9/h1-3H
InChI Key	POPXRBHETNDMFP-UHFFFAOYSA-N
MDL Number	MFCD06659626
Molecular Formula	C7H3Cl2NO
Molecular Weight	188.0108
SMILES	ClC1=NOC2=C1C=CC(Cl)=C2
Synonyms	3,6-Dichlorobenzo[d]isoxazole, 16263-54-0, 3,6-DICHLORO-1,2-BENZOXAZOLE, 3,6-dichlorobenzisoxazole, 3,6-DICHLORO-1,2-BENZISOXAZOLE, SCHEMBL1839676, 3,6-Dichloro-benzo[d]isoxazole, CTK8C2690, DTXSID00544035, POPXRBHETNDMFP-UHFFFAOYSA-N, ANW-68847, MFCD06659626, ZINC34091285, AKOS006291816, AB25981, CS-W021823, MP-1735, QC-9466, KS-00000P36, AJ-86920, AK-59821, DS-16352, AB0057093, TC-157592, 4CH-010847, ST24022497, Z4246, C7H3Cl2NO,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.959g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.007g/mol
Monoisotopic Mass	186.959g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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