Home Halogens methyl 3-amino-5-(3-bromophenyl)thiophene-2-carboxylate

methyl 3-amino-5-(3-bromophenyl)thiophene-2-carboxylate

CAS No.:
1094398-45-4
Catalog Number:
AG019XNX
Molecular Formula:
C12H10BrNO2S
Molecular Weight:
312.1823
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Product Description
Catalog Number:
AG019XNX
Chemical Name:
methyl 3-amino-5-(3-bromophenyl)thiophene-2-carboxylate
CAS Number:
1094398-45-4
Molecular Formula:
C12H10BrNO2S
Molecular Weight:
312.1823
MDL Number:
MFCD11207960
IUPAC Name:
methyl 3-amino-5-(3-bromophenyl)thiophene-2-carboxylate
InChI:
InChI=1S/C12H10BrNO2S/c1-16-12(15)11-9(14)6-10(17-11)7-3-2-4-8(13)5-7/h2-6H,14H2,1H3
InChI Key:
YTJTVXOJLZLQGQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(cc1N)c1cccc(c1)Br
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.962g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
312.181g/mol
Monoisotopic Mass:
310.962g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties