AG0082UU

106896-49-5 | Methyl 4-amino-3-bromobenzoate

AG0082UU

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CAS Number	106896-49-5
Catalog Number	AG0082UU(AGN-PC-0K6AIS)
Chemical Name	Methyl 4-amino-3-bromobenzoate
IUPAC Name	methyl 4-amino-3-bromobenzoate
InChI	InChI=1S/C8H8BrNO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,10H2,1H3
InChI Key	AIUWAOALZYWQBX-UHFFFAOYSA-N
MDL Number	MFCD01861385
Molecular Formula	C8H8BrNO2
Molecular Weight	230.0586
SMILES	C(=O)(OC)c1cc(Br)c(cc1)N
Synonyms	Methyl 4-amino-3-bromobenzoate, 106896-49-5, 4-Amino-3-bromo-benzoic acid methyl ester, Methyl4-amino-3-bromobenzoate, 4-Amino-3-bromobenzoic Acid Methyl Ester, 2-Bromo-4-methoxycarbonylaniline, MFCD01861385, BENZOIC ACID, 4-AMINO-3-BROMO-, METHYL ESTER, ZERO/004654, ACMC-2098mp, AC1LTV50, SCHEMBL112404, methyl-4-amino-3-bromobenzoate, CTK4A4842, KS-00000INI, methyl 4-amino-3-bromo-benzoate, TIMTEC-BB SBB012847, DTXSID70363932, AIUWAOALZYWQBX-UHFFFAOYSA-N, 2-Bromo-4-(methoxycarbonyl)aniline, ACT07028, BCP05740, ZINC1437415, ANW-15455, SBB012847, STK772476, AKOS005354456, AC-4485, AS03611, CS-W012965, MCULE-1259359295, Methyl 4-amino-3-bromobenzoate, 97%, PS-6263, RP27872, RTC-067354, TRA0002415, AJ-26019, AK-32787, AN-11900, CJ-05035, CJ-23476, SC-89621, SY034464, AB0008663, DB-011601, ST4100481, TC-067354, 4CH-000237, D1359, FT-0648229, ST24047894, Benzoic acid,4-amino-3-bromo-, methyl ester, EN300-94755, MFCD01861385 (98%), A43077, M-1833, Z-9264, 896M495, I14-5166, J-514350, J-640259, J-800258, Z57468480, 4-amino-3-bromobenzoate, C8H8BrNO2, PENTACHLOROCYCLOPROPANE, ACN-025939, CID1515280, A2049, M2084, Methyl 4-amino-3-bromobenzoate, 98% - 1G 1g,

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	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H319
Packing Group	Ⅲ
Precautionary statements	P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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