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306934-99-6 | 3-Thiophenecarboxylic acid, 2-amino-4-(4-bromophenyl)-, ethyl ester
CAS No: 306934-99-6 Catalog No: AG0030U0 MDL No:MFCD00435056
Product Description
Catalog Number:
AG0030U0
Chemical Name:
3-Thiophenecarboxylic acid, 2-amino-4-(4-bromophenyl)-, ethyl ester
CAS Number:
306934-99-6
Molecular Formula:
C13H12BrNO2S
Molecular Weight:
326.2089
MDL Number:
MFCD00435056
IUPAC Name:
ethyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate
InChI:
InChI=1S/C13H12BrNO2S/c1-2-17-13(16)11-10(7-18-12(11)15)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3
InChI Key:
SEWFWRCESBYGFS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)scc1c1ccc(cc1)Br
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.977g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.208g/mol
Monoisotopic Mass:
324.977g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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