Home Other Building Blocks ETHYL 2-(4-BROMOTHIOPHEN-3-YL)-2,2-DIFLUOROACETATE

ETHYL 2-(4-BROMOTHIOPHEN-3-YL)-2,2-DIFLUOROACETATE

CAS No.:
1537724-16-5
Catalog Number:
AG01EL82
Molecular Formula:
C8H7BrF2O2S
Molecular Weight:
285.1058
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Product Description
Catalog Number:
AG01EL82
Chemical Name:
ETHYL 2-(4-BROMOTHIOPHEN-3-YL)-2,2-DIFLUOROACETATE
CAS Number:
1537724-16-5
Molecular Formula:
C8H7BrF2O2S
Molecular Weight:
285.1058
MDL Number:
MFCD23730965
IUPAC Name:
ethyl 2-(4-bromothiophen-3-yl)-2,2-difluoroacetate
InChI:
InChI=1S/C8H7BrF2O2S/c1-2-13-7(12)8(10,11)5-3-14-4-6(5)9/h3-4H,2H2,1H3
InChI Key:
XBTIHNCIJQKNIX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1cscc1Br)(F)F
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.932g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.103g/mol
Monoisotopic Mass:
283.932g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties