AG00FAFA

65673-63-4 | Ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4h-chromene-3-carboxylate

AG00FAFA

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CAS Number	65673-63-4
Catalog Number	AG00FAFA(AGN-PC-0THLZ3)
Chemical Name	Ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4h-chromene-3-carboxylate
IUPAC Name	ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate
InChI	InChI=1S/C17H17BrN2O5/c1-3-23-16(21)11(8-19)13-10-7-9(18)5-6-12(10)25-15(20)14(13)17(22)24-4-2/h5-7,11,13H,3-4,20H2,1-2H3
InChI Key	SXJDCULZDFWMJC-UHFFFAOYSA-N
MDL Number	MFCD00218213
Molecular Formula	C17H17BrN2O5
Molecular Weight	409.2313
NSC Number	720569
SMILES	O=C(C1=C(N)OC2=C(C=C(Br)C=C2)[C@H]1[C@H](C#N)C(OCC)=O)OCC
Synonyms	2-amino-6-bromo-alpha-cyano-3-(ethoxycarbonyl)-4H-1-benzopyran-4-acetic acid ethyl ester, ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate, HA 14-1, HA14-1, ha14-1, 65673-63-4, Ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate, HA 14-1, Ethyl [2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)]-4H-chromene-3-carboxylate, 2-oxo-2-(2-(tritylamino)thiazol-5-yl)acetic acid, MFCD00218213, SR-01000511000, C17H17BrN2O5, Maybridge1_000786, AC1Q4QKC, AC1L1G6Q, BSPBio_001583, KBioGR_000303, KBioSS_000303, SCHEMBL1427458, CHEBI:94328, HMS543L16, KBio2_000303, KBio2_002871, KBio2_005439, KBio3_000605, KBio3_000606, AOB6777, DTXSID20274403, EX-A148, SXJDCULZDFWMJC-UHFFFAOYSA-N, Bio2_000303, Bio2_000783, HMS1361P05, HMS1791P05, HMS1989P05, HMS3268C09, HMS3678M05, BCP01804, ABP000246, BTB 02933, HA 141, HA14-1/HA141, HSCI1_000186, NSC720569, AKOS007930839, AN-5297, BCP9000758, CCG-233971, CS-0138, NSC-720569, QC-8196, RP07124, 2-Amino-6-bromo-alpha-cyano-3-(ethoxycarbonyl)-4H-1-benzopyran-4-acetic acid ethyl ester, IDI1_034053, SMP2_000039, NCGC00025207-02, NCGC00025207-03, NCGC00025207-04, NCGC00025207-05, NCGC00025207-06, NCGC00025207-15, NCGC00025207-16, AK687960, BC638568, HY-12011, NCI60_041312, PS-10256, SC-25479, AB0008001, DB-011974, FT-0761318, Y9750, HA 14-1, >=95% (CHN/NMR), powder, S-7766, J-520710, SR-01000511000-1, SR-01000511000-2, BRD-A13807286-001-03-9, 2-Amino-6-bromo-?-cyano-3-(ethoxycarbonyl)-4H-1-benzopyran-4-acetic acid ethyl ester, ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4H-chromene-3-carboxylate, Ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-1-benzopyran-3-carboxylate, (alphaR,4R)-rel-2-amino-6-bromo-alpha-cyano-3-(ethoxycarbonyl)-4H-1-benzopyran-4-aceticacid,ethylester, 101004-38-0, 927635-64-1, cc-453, CHEMBL288542, CID3549, AR-1I8298, ACN-029598, A8168, HA 14-1, 95% - 1G 1g, C456800, 4H-1-Benzopyran-4-acetic acid, 2-amino-6-bromo-alpha-cyano-3-(ethoxycarbonyl)-, ethyl ester, (alphaR,4R)-rel-, 67914-60-7,

Complexity	611
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	408.032g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	409.236g/mol
Monoisotopic Mass	408.032g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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