AG000NWV

125568-73-2 | Benzoic acid, 5-amino-2,4-difluoro-, methyl ester

AG000NWV

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CAS Number	125568-73-2
Catalog Number	AG000NWV(AGN-PC-03KIK0)
Chemical Name	Benzoic acid, 5-amino-2,4-difluoro-, methyl ester
IUPAC Name	methyl 5-amino-2,4-difluorobenzoate
InChI	InChI=1S/C8H7F2NO2/c1-13-8(12)4-2-7(11)6(10)3-5(4)9/h2-3H,11H2,1H3
InChI Key	HHAREYZKVHGBEP-UHFFFAOYSA-N
MDL Number	MFCD09396710
Molecular Formula	C8H7F2NO2
Molecular Weight	187.1435
SMILES	O=C(OC)C1=CC(N)=C(F)C=C1F
Synonyms	Methyl 5-amino-2,4-difluorobenzoate, 125568-73-2, 5-AMINO-2,4-DIFLUORO-BENZOIC ACID METHYL ESTER, BENZOIC ACID, 5-AMINO-2,4-DIFLUORO-, METHYL ESTER, PubChem4678, ACMC-209aux, AC1Q42GH, KSC173M2H, SCHEMBL3529864, CTK0H3623, Benzoic acid, 5-amino-2,4-difluoro-, methyl ester (9CI), DTXSID30622491, HHAREYZKVHGBEP-UHFFFAOYSA-N, OTAVA-BB 1056241, ACT11900, BCP23066, KS-00000GM3, Methyl5-amino-2,4-difluorobenzoate, ANW-18343, CL8575, CM0122, MFCD09396710, SBB064304, ZINC11803994, AKOS005063973, methyl 5-amino-2,4-difluoro-benzoate, AC-3878, AS01773, CM-1076, CS-W005638, DS-0999, MCULE-8515844434, RP24717, AJ-60182, AK-39062, AN-12503, BR-39062, CJ-13689, SY045508, AB0035320, DB-002132, RT-002965, ST2413431, AM20050048, FT-0652235, X9630, EN300-27848, MFCD09396710 (95%), 5-Amino-2,4-difluorobenzoic acid methyl ester, A19952, B-6752, 568M732, I01-4593, Q-103478, Z235346295, C8H7F2NO2, 168971-68-4,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.044g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	187.146g/mol
Monoisotopic Mass	187.044g/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	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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