Home Halogens 3-chloro-2-nitrothiophene

3-chloro-2-nitrothiophene

CAS No.:
33786-78-6
Catalog Number:
AG00I6NO
Molecular Formula:
C4H2ClNO2S
Molecular Weight:
163.5822
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Product Description
Catalog Number:
AG00I6NO
Chemical Name:
3-chloro-2-nitrothiophene
CAS Number:
33786-78-6
Molecular Formula:
C4H2ClNO2S
Molecular Weight:
163.5822
MDL Number:
MFCD01006725
IUPAC Name:
3-chloro-2-nitrothiophene
InChI:
InChI=1S/C4H2ClNO2S/c5-3-1-2-9-4(3)6(7)8/h1-2H
InChI Key:
DMRGXGMRGIFNDW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1sccc1Cl
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.949g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.575g/mol
Monoisotopic Mass:
162.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties