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3013-27-2

3013-27-2 | 3-Fluoro-2-Nitrotoluene

CAS No: 3013-27-2 Catalog No: AG0038TY MDL No:MFCD08458093

Product Description

Catalog Number:
AG0038TY
Chemical Name:
3-Fluoro-2-Nitrotoluene
CAS Number:
3013-27-2
Molecular Formula:
C7H6FNO2
Molecular Weight:
155.1264
MDL Number:
MFCD08458093
IUPAC Name:
1-fluoro-3-methyl-2-nitrobenzene
InChI:
InChI=1S/C7H6FNO2/c1-5-3-2-4-6(8)7(5)9(10)11/h2-4H,1H3
InChI Key:
JSXAJLMUBSEJFF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)cccc1F

Properties

Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.038g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.128g/mol
Monoisotopic Mass:
155.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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