AG003RR2

46064-79-3 | Methyl 3-amino-4-bromobenzoate

AG003RR2

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CAS Number	46064-79-3
Catalog Number	AG003RR2(AGN-PC-0L2CS0)
Chemical Name	Methyl 3-amino-4-bromobenzoate
IUPAC Name	methyl 3-amino-4-bromobenzoate
InChI	InChI=1S/C8H8BrNO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3
InChI Key	GPMSTDWXXKAKCT-UHFFFAOYSA-N
MDL Number	MFCD00553090
Molecular Formula	C8H8BrNO2
Molecular Weight	230.0586
SMILES	C(=O)(OC)c1cc(N)c(cc1)Br
Synonyms	methyl 3-amino-4-bromobenzoate, 46064-79-3, methyl3-amino-4-bromobenzoate, methyl-3-amino-4-bromo benzoate, 3-Amino-4-bromobenzoic acid methylester, methyl-3-amino-4-bromobenzoate, benzoic acid, 3-amino-4-bromo-, methyl ester, 3-Amino-4-bromobenzoic acid methyl ester, 3-amino-4-bromo-benzoic acid methyl ester, Methyl 3-amino-4-bromo-benzoate, 3-Amino-4-bromobenzoicacidmethyl ester, PubChem16736, AC1MZX1M, ACMC-1ALS0, KSC495I6H, SCHEMBL3926294, CTK3J5463, DTXSID40398019, GPMSTDWXXKAKCT-UHFFFAOYSA-N, WT339, ACN-S003834, BCP27509, KS-000009VS, ZINC1688073, ANW-30399, BBL035891, CL8545, FC1124, MFCD00553090, STL495502, AKOS005255384, AC-4795, CM12352, CS-W004909, RP27862, RTC-064360, TRA0032565, METHYL-4-BROMO-3-AMINO BENZOATE, AJ-29912, AK-35256, AN-11616, BC004140, BR-35256, CJ-06405, QC-10990, SC-12447, SY013823, TS-03273, 4-Bromo-3-amino-benzoic acid methyl ester, AB0025008, DB-011593, TC-064360, AM20050404, FT-0081512, FT-0651167, ST24031016, W6389, 46064-79-3 methyl 3-amino-4-bromobenzoate, A-2652, MFCD00553090 (97+%), 064A793, I01-1768, J-522666, C8H8BrNO2, CB10400, CID3928639, A7209, 3-Amino-4-bromo-benzoic acid methyl ester - 1G 1g, 2-(BENZO[D][1,3]DIOXOL-4-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.974g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	230.061g/mol
Monoisotopic Mass	228.974g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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

Lot Number