AG0084A0

107818-55-3 | Methyl 3-amino-5-bromothiophene-2-carboxylate

AG0084A0

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CAS Number	107818-55-3
Catalog Number	AG0084A0(AGN-PC-02NI0I)
Chemical Name	Methyl 3-amino-5-bromothiophene-2-carboxylate
IUPAC Name	methyl 3-amino-5-bromothiophene-2-carboxylate
InChI	InChI=1S/C6H6BrNO2S/c1-10-6(9)5-3(8)2-4(7)11-5/h2H,8H2,1H3
InChI Key	RZYLOBBUEWSONL-UHFFFAOYSA-N
MDL Number	MFCD12031265
Molecular Formula	C6H6BrNO2S
Molecular Weight	236.0863
SMILES	COC(=O)C1=C(N)C=C(Br)S1
Synonyms	methyl 3-amino-5-bromothiophene-2-carboxylate, 107818-55-3, 3-Amino-5-bromo-thiophene-2-carboxylic acid methyl ester, 3-Amino-5-bromo-thiophene-2-carboxylicacidmethylester, AK-77276, Methyl 3-amino-5-bromo-thiophene-2-carboxylate, 5-Bromo-3-aminothiophene-2-carboxylic acid methyl ester, zlchem 851, SCHEMBL102283, CTK4A5730, DTXSID50603126, ZLD0312, RZYLOBBUEWSONL-UHFFFAOYSA-N, ACT06189, BCP19755, EBD47786, ANW-55040, DT1054, MFCD12031265, QC-733, ZINC32914936, AKOS015919440, FCH1409575, PB33047, RP28214, KS-0000079I, AJ-85689, BS-11738, SC-48781, AB0033928, AX8223921, DB-024647, TX-016673, CS-0041704, FT-0657492, methyl3-amino-5-bromothiophene-2-carboxylate, X7996, methy 3-amino-5-bromothiophene-2-carboxylate, methyl 5-bromo-3-amino-2-thiophenecarboxylate, Q-1439, Z-9419, 3-Amino-5-bromo-2-thiophenecarboxylic acid methyl, J-511642, S09-0006, 2-Thiophenecarboxylicacid,3-amino-5-bromo-,methylester, 3-Amino-5-bromothiophene-2-carboxylic acid methyl ester, 2-Thiophenecarboxylic acid, 3-amino-5-bromo-, methyl ester, 3-AMINO-5-BROMO-2-THIOPHENECARBOXYLIC ACID METHYL ESTER, C6H6BrNO2S, A2105,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.93g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	236.083g/mol
Monoisotopic Mass	234.93g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	80.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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