AG00380S

161833-42-7 | Methyl 3-amino-4-bromothiophene-2-carboxylate

AG00380S

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CAS Number	161833-42-7
Catalog Number	AG00380S(AGN-PC-09R1U7)
Chemical Name	Methyl 3-amino-4-bromothiophene-2-carboxylate
IUPAC Name	methyl 3-amino-4-bromothiophene-2-carboxylate
InChI	InChI=1S/C6H6BrNO2S/c1-10-6(9)5-4(8)3(7)2-11-5/h2H,8H2,1H3
InChI Key	LWSWLXPUUCBUPI-UHFFFAOYSA-N
MDL Number	MFCD09038329
Molecular Formula	C6H6BrNO2S
Molecular Weight	236.0863
SMILES	NC1=C(SC=C1Br)C(=O)OC
Synonyms	methyl 3-amino-4-bromothiophene-2-carboxylate, 161833-42-7, 3-Amino-4-bromo-thiophene-2-carboxylic acid methyl ester, SCHEMBL1845347, CTK4D0978, DTXSID50693522, LWSWLXPUUCBUPI-UHFFFAOYSA-N, HT748, BCP26743, MFCD09038329, ZINC71863995, AKOS015995128, ACN-048984, DS-6435, QC-5946, RP28213, AK114288, SC-52664, SY023661, AB0032372, AJ-118839, TX-016670, CS-0041706, ST24047787, X5670, Methyl 3-amino-4-bromo-2-thiophenecarboxylate, MFCD09038329 (95%), K-5055, Methyl 3-amino-4-bromo-thiophene-2-carboxylate, 3-Amino-4-bromo-thiophene-2-carboxylic acid methyl, J-511604, Z2805897438, 2-Thiophenecarboxylic acid, 3-amino-4-bromo-, methyl ester, 161833-42-7 methyl 3-amino-4-bromothiophene-2-carboxylate, C6H6BrNO2S,

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	2.4

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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