AG00203H

1750-45-4 | 2(3H)-Benzoxazolone, 5-chloro-6-hydroxy-

AG00203H

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CAS Number	1750-45-4
Catalog Number	AG00203H(AGN-PC-00JMG7)
Chemical Name	2(3H)-Benzoxazolone, 5-chloro-6-hydroxy-
IUPAC Name	5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one
InChI	InChI=1S/C7H4ClNO3/c8-3-1-4-6(2-5(3)10)12-7(11)9-4/h1-2,10H,(H,9,11)
InChI Key	AGLXDWOTVQZHIQ-UHFFFAOYSA-N
MDL Number	MFCD00143502
Molecular Formula	C7H4ClNO3
Molecular Weight	185.5646
NSC Number	24955
SMILES	O=C1OC2=CC(O)=C(Cl)C=C2N1
UNII	M5YLT4Y73F
Synonyms	6-hydroxychlorzoxazone, 6-Hydroxychlorzoxazone, 1750-45-4, 5-Chloro-6-hydroxybenzo[d]oxazol-2(3H)-one, 2(3H)-Benzoxazolone, 5-chloro-6-hydroxy-, NSC 24955, 5-Chloro-6-hydroxy-2-benzoxazolinone, 5-Chloro-6-hydroxybenzoxazone, 6-hydroxy Chlorzoxazone, 2-BENZOXAZOLINONE, 5-CHLORO-6-HYDROXY-, UNII-M5YLT4Y73F, BRN 0911674, M5YLT4Y73F, 5-Chloro-6-hydroxy-2(3H)-benzoxazolone, 2(3H)-Benzoxazolone,5-chloro-6-hydroxy-, 5-chloro-6-hydroxy-1,3-benzoxazol-2(3h)-one, 5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one, 6-hydroxy chlorzoxazone-d2, W-206079, AC1L1ECH, AC1Q3QW2, 6-Hydroxychlorzoxazone, solid, SCHEMBL528197, CHEMBL3182250, CTK4D5144, DTXSID50169919, AGLXDWOTVQZHIQ-UHFFFAOYSA-N, NSC24955, 5-chloro-6-hydroxy-2-benzoxazolinon, FCH839820, MFCD00143502, NSC-24955, ZINC95932071, AKOS006275736, ACM1750454, RP03402, NCGC00165920-01, 6-Hydroxychlorzoxazone, >=98% (HPLC), AJ-19536, AK-61019, AN-49829, LS-42273, FT-0669341, Y7840, KS-00001830, chlorzoxazone, 6-hydroxy major metabolit e of c, 750H454, 2(3H)-Benzoxazolone, 5-chloro-6-hydroxy- (9CI), 5-chloro-6-hydroxy-2(3h)-benzoxazolone, 5-chloro-6-hydroxybenzoxazone, P450 (CYP) metabolite|||Phase I metabolite of chlozoxazone|||CYP2E1 reference metabolite, 6-Hydroxychlorzoxazone solution, 100 mug/mL in methanol, ampule of 1 mL, certified reference material, C7H4ClNO3, C7-H4-Cl-N-O3, CID2734, AR-1G7806, 6-Hydroxy chlorzoxazone, 98% - 5mg 5mg, C039289, 1785-05-3,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.988g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	185.563g/mol
Monoisotopic Mass	184.988g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number