Home Other Building Blocks 2-BROMO-5-CHLORO-1-BENZOTHIOPHENE-3-CARBALDEHYDE

2-BROMO-5-CHLORO-1-BENZOTHIOPHENE-3-CARBALDEHYDE

CAS No.:
680212-97-9
Catalog Number:
AG00FD7W
Molecular Formula:
C9H4BrClOS
Molecular Weight:
275.5495
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Product Description
Catalog Number:
AG00FD7W
Chemical Name:
2-BROMO-5-CHLORO-1-BENZOTHIOPHENE-3-CARBALDEHYDE
CAS Number:
680212-97-9
Molecular Formula:
C9H4BrClOS
Molecular Weight:
275.5495
MDL Number:
MFCD01570694
IUPAC Name:
2-bromo-5-chloro-1-benzothiophene-3-carbaldehyde
InChI:
InChI=1S/C9H4BrClOS/c10-9-7(4-12)6-3-5(11)1-2-8(6)13-9/h1-4H
InChI Key:
IQQNHUYKNRMBTL-UHFFFAOYSA-N
SMILES:
O=Cc1c(Br)sc2c1cc(Cl)cc2
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.885g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.544g/mol
Monoisotopic Mass:
273.885g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties