AG001622

1218-69-5 | 4H-1,3-Benzoxazin-4-one, 2-(2-hydroxyphenyl)-

AG001622

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CAS Number	1218-69-5
Catalog Number	AG001622(AGN-PC-0O0CFT)
Chemical Name	4H-1,3-Benzoxazin-4-one, 2-(2-hydroxyphenyl)-
IUPAC Name	2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one
InChI	InChI=1S/C14H9NO3/c16-11-7-3-1-5-9(11)14-15-13(17)10-6-2-4-8-12(10)18-14/h1-8,16H
InChI Key	NSWIROGSZPXREF-UHFFFAOYSA-N
MDL Number	MFCD02234511
Molecular Formula	C14H9NO3
Molecular Weight	239.2262
SMILES	Oc1ccccc1c1nc(=O)c2c(o1)cccc2
Synonyms	1218-69-5, 2-(2-Hydroxyphenyl)-4H-benzo[e][1,3]oxazin-4-one, 2-(2-hydroxyphenyl)-4H-1,3-benzoxazin-4-one, 4H-1,3-Benzoxazin-4-one, 2-(2-hydroxyphenyl)-, AK-79680, 2-(2-Hydroxyphenyl)benz[e][1,3]oxazin-4-one, 2-(2-Hydroxyphenyl)-4H-1,3-benzoxazine-4-one, AE-848/09052017, 2-(2-hydroxyphenyl)benz(e][1,3]oxazin-4-one, Oprea1_522502, SCHEMBL61277, Deferasirox Benzoxazin Impurity, CTK4B2818, NSWIROGSZPXREF-UHFFFAOYSA-N, BCP11393, EBD51256, 4141AA, AN-430, ANW-68414, MFCD02234511, ZINC39279020, AKOS015909621, AC-8966, AM84357, OR51823, RP28367, SS-4797, SY030380, AX8237568, DB-061981, TC-157159, FT-0670006, ST24039202, 2-(2-hydroxyphenyl)-benz[1,3]oxazin-4-one, MFCD02234511 (95%), 2-(2-hydroxyphenyl)benz[e][1,3]oxazin4-one, 2-(o-Hydroxyphenyl)-4H-1,3-benzoxazin-4-one, 2-(2-hydroxyphenyl)-1,3(4h)-benzoxazin-4-one, 2-(2-hydroxyphenyl)-benz[e][1,3]oxazin-4-one, 2-(2'-Hydroxyphenyl)-4H-1,3-benzoxazin-4-one, 2-(2-Hydroxyphenyl)-4H-1,3-benzooxazine-4-one, 218H695, 2-(2-hydroxy-phenyl)-benzo[e][1,3]oxazin-4-one, 2-(2-HYDROXYPHENYL)-1,3-BENZOXAZIN-4-ONE, J-505646, 2-(2-hydroxyphenyl) benz [e] [1, 3] oxazin-4-one, I14-32397, (2Z)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-benzoxazin-4-one, C14H9NO3, ACN-028606, H1653,

Complexity	366
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.058g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	239.23g/mol
Monoisotopic Mass	239.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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