AG004JJD

884497-46-5 | Methyl 3-amino-5-fluorobenzoate

AG004JJD

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CAS Number	884497-46-5
Catalog Number	AG004JJD(AGN-PC-0L0CS6)
Chemical Name	Methyl 3-amino-5-fluorobenzoate
IUPAC Name	methyl 3-amino-5-fluorobenzoate
InChI	InChI=1S/C8H8FNO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,10H2,1H3
InChI Key	YKEJVXMOMKWEPV-UHFFFAOYSA-N
MDL Number	MFCD05863683
Molecular Formula	C8H8FNO2
Molecular Weight	169.1530
SMILES	O=C(OC)C1=CC(F)=CC(N)=C1
Synonyms	methyl 3-amino-5-fluorobenzoate, 884497-46-5, Methyl3-amino-5-fluorobenzoate, MFCD05863683, AC1MX06A, SCHEMBL2531772, CTK8B4802, KS-00000IEI, Methyl 5-Amino-3-fluorobenzoate, DTXSID40396712, YKEJVXMOMKWEPV-UHFFFAOYSA-N, ZINC2555549, ANW-46298, CL9032, AKOS012321978, AM62252, CS-W005376, MCULE-7888974824, AJ-39779, AK-53655, AS-18840, CJ-09377, SY024503, 3-Amino-5-fluorobenzoic acid methyl ester, 5-amino-3-fluorobenzoic acid methyl ester, 3-amino-5-fluoro-benzoic acid methyl ester, AB0030624, TC-135043, 4CH-009239, ST24031022, X2833, MFCD05863683 (98%), M-9462, C8H8FNO2, Methyl 3-amino-5-fluoro-benzoate, CID3807862, 3-Amino-5-fluoro-benzoic acid ethyl ester,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.054g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	169.155g/mol
Monoisotopic Mass	169.054g/mol
Rotatable Bond Count	2
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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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