AG0039CU

185629-32-7 | Methyl 4-amino-3-fluorobenzoate

AG0039CU

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CAS Number	185629-32-7
Catalog Number	AG0039CU(AGN-PC-0NH9AI)
Chemical Name	Methyl 4-amino-3-fluorobenzoate
IUPAC Name	methyl 4-amino-3-fluorobenzoate
InChI	InChI=1S/C8H8FNO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,10H2,1H3
InChI Key	DOMJYWCXCVFKCA-UHFFFAOYSA-N
MDL Number	MFCD08689703
Molecular Formula	C8H8FNO2
Molecular Weight	169.1530
SMILES	COC(C1=CC(=C(C=C1)N)F)=O
Synonyms	methyl 4-amino-3-fluorobenzoate, 185629-32-7, methyl 4-amino-3-fluorobenzenecarboxylate, methyl-4-amino-3-fluorobenzoate, 4-amino-3-fluoro-benzoic acid methyl ester, AC1Q430T, SCHEMBL1457756, methyl 3-fluoro-4-aminobenzoate, CTK6I9740, DTXSID50457888, DOMJYWCXCVFKCA-UHFFFAOYSA-N, CS-M0954, KS-00000J5V, ZINC8729946, 2-Fluoro-4-(methoxycarbonyl)aniline, ANW-49041, MFCD08689703, SBB088256, AKOS005072802, AM62247, CM12406, FA-0701, MCULE-3813243661, QC-1608, RP10459, RTR-008570, Methyl4-amino-3-fluorobenzenecarboxylate, AJ-58935, AK-53872, BR-53872, CJ-13547, EN001189, SC-93705, SY008043, 3-Fluoro-4-aminobenzoic acid methyl ester, 4-Amino-3-fluorobenzoic acid methyl ester, AB0023031, TR-008570, FT-0680986, ST24031083, W4014, EN300-69530, MFCD08689703 (95%), Benzoic acid, 4-amino-3-fluoro-, methyl ester, C-6145, J-522295, I01-15735, Z1263714063, C8H8FNO2, Methyl4-amino-3-fluorobenzoate, Methyl 4-amino-3-fluoro-benzoate, CID11182865,

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	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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