AG00A0BY

134372-47-7 | 6-Chloro-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylic acid

AG00A0BY

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CAS Number	134372-47-7
Catalog Number	AG00A0BY(AGN-PC-0N7GJ6)
Chemical Name	6-Chloro-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylic acid
IUPAC Name	6-chloro-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid
InChI	InChI=1S/C9H8ClNO3/c10-5-3-6(9(12)13)8-7(4-5)11-1-2-14-8/h3-4,11H,1-2H2,(H,12,13)
InChI Key	RDIXXNVIEWPZCD-UHFFFAOYSA-N
MDL Number	MFCD22384391
Molecular Formula	C9H8ClNO3
Molecular Weight	213.6177
SMILES	O=C(C1=C2OCCNC2=CC(Cl)=C1)O
Synonyms	6-Chloro-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylic acid, 134372-47-7, 6-chloro-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid, AK147711, RDIXXNVIEWPZCD-UHFFFAOYSA-N, SCHEMBL7275955, KS-00000S5N, BBL102879, MFCD22384391, STL556687, ZINC39075833, AKOS022187714, DS-8788, FCH1634167, AJ-97989, AX8285121, CID10608651, 3-chloro-7-oxa-10-azabicyclo[4.4.0]deca-1,3,5-triene-5-carboxylic Acid,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.019g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	213.617g/mol
Monoisotopic Mass	213.019g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number