AG003NCT

53518-15-3 | 7-Amino-4-(trifluoromethyl)-2H-chromen-2-one

AG003NCT

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CAS Number	53518-15-3
Catalog Number	AG003NCT(AGN-PC-0JLCBA)
Chemical Name	7-Amino-4-(trifluoromethyl)-2H-chromen-2-one
EC Number	258-599-1
IUPAC Name	7-amino-4-(trifluoromethyl)chromen-2-one
InChI	InChI=1S/C10H6F3NO2/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4H,14H2
InChI Key	JBNOVHJXQSHGRL-UHFFFAOYSA-N
MDL Number	MFCD00006858
Molecular Formula	C10H6F3NO2
Molecular Weight	229.1553
NSC Number	337981
SMILES	NC1=CC=C2C(=CC(OC2=C1)=O)C(F)(F)F
Synonyms	7-amino-4-trifluoromethylcoumarin, 7-ATFMC, ATFMC cpd, Coumarin 151, 53518-15-3, 7-Amino-4-(trifluoromethyl)coumarin, 7-Amino-4-(trifluoromethyl)-2H-chromen-2-one, 7-Amino-4-trifluoromethylcoumarin, 2H-1-Benzopyran-2-one, 7-amino-4-(trifluoromethyl)-, 7-amino-4-(trifluoromethyl)chromen-2-one, 7-Amino-4-(trifluoromethyl)-2-benzopyrone, MFCD00006858, 7-Amino-4-trifluoromethyl-chromen-2-one, MLS000080824, CHEBI:51772, JBNOVHJXQSHGRL-UHFFFAOYSA-N, NSC337981, 7-amino-4-trifluoromethylchromen-2-one, AK167004, SMR000034073, J-100011, coumarin-151, EINECS 258-599-1, NSC 337981, PubChem8665, AC1Q4IJL, regid857055, Maybridge1_007017, AC1Q52CM, AC1Q52CN, SCHEMBL144309, AC1L2P60, cid_100641, PC1100CF, CHEMBL1301731, DTXSID0068862, 7-amino-4-trifluoromethylcumarin, BDBM83209, CTK4J8302, HMS561G21, JBNOVHJXQSHGRL-UHFFFAOYSA-, KS-00003QRJ, ZINC56592, 7-amino-4-trifluoromethylcoumarine, HMS2320G13, 7-amino-4-trifluoromethyl coumarin, ALBB-012516, BB_NC-00021, BCP27056, HY-D0981, ZX-AN011313, ZX-AP001830, BBL027617, CA-559, SBB017607, STK397404, 7-amino-4-(trifluoromethyl) coumarin, AKOS000304029, CCG-245871, CS-7725, MCULE-6946626827, NSC-337981, PS-6393, SDCCGMLS-0021390.P002, TRA0033438, VZ30872, AN-40784, CC-23077, SC-46014, 7-azanyl-4-(trifluoromethyl)chromen-2-one, AB1007322, DB-052354, TR-018937, FT-0621345, ST45161567, Z3059, 7-Amino-4-(trifluoromethyl)coumarin, >=99%, A15632, C-0703, 7-amino-4-(trifluoromethyl)-1-benzopyran-2-one, 518A153, 7-Amino-4-(trifluoromethyl)-2H-chromen-2-one #, C-13218, SR-01000597171, 7-Amino-4-(trifluoromethyl)-2H-1-benzopyran-2-one, SR-01000597171-1, 2H-1-Benzopyran-2-one,7-amino-4-(trifluoromethyl)-, BRD-K20841137-001-07-9, InChI=1/C10H6F3NO2/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4H,14H2, Coumarin151, C10H6F3NO2, C10-H6-F3-N-O2, AR-1H3139, CID100641, 7-Amino-4-(trifluoromethyl)coumarin, 95% - 1G 1g, AFC, 5443-32-3,

Complexity	337
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.035g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.158g/mol
Monoisotopic Mass	229.035g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.3A^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-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number