AG006ZIN

455-75-4 | Ethyl 3-amino-4-fluorobenzoate

AG006ZIN

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CAS Number	455-75-4
Catalog Number	AG006ZIN(AGN-PC-01VO7B)
Chemical Name	Ethyl 3-amino-4-fluorobenzoate
IUPAC Name	ethyl 3-amino-4-fluorobenzoate
InChI	InChI=1S/C9H10FNO2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2,11H2,1H3
InChI Key	XRJOTWKQZHOXTM-UHFFFAOYSA-N
MDL Number	MFCD03840487
Molecular Formula	C9H10FNO2
Molecular Weight	183.1796
SMILES	NC1=C(C=CC(=C1)C(=O)OCC)F
Synonyms	Ethyl 3-amino-4-fluorobenzoate, 455-75-4, Ethyl3-amino-4-fluorobenzoate, ethyl 3-amino-4-fluoro-benzoate, SCHEMBL1127647, CTK3J5461, KS-00000MLZ, DTXSID60593524, XRJOTWKQZHOXTM-UHFFFAOYSA-N, ZINC2513308, AM1004, ANW-49943, CE-034, MFCD03840487, SBB053706, AKOS010053629, CS-W022669, DS-0876, MCULE-1952959097, RP24397, RTC-030433, VZ32093, AC-16590, AJ-36828, AK-35238, AN-45021, BR-35238, CJ-08686, Q652, SC-18602, SY047006, TS-02548, AB0017720, DB-007483, ST2419331, TC-030433, 4CH-014786, FT-0080700, FT-0600574, ST50949680, MFCD03840487 (95%), Benzoic acid, 3-amino-4-fluoro-, ethyl ester, M-2555, I01-2788, J-520846, 3'-Fluoropropiophenone, C9H10FNO2, RW1422, ACN-030472,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.07g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	183.182g/mol
Monoisotopic Mass	183.07g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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