Home Halogens 3-chloro-4-fluoro-N-(2-methylpropyl)aniline

3-chloro-4-fluoro-N-(2-methylpropyl)aniline

CAS No.:
1038734-58-5
Catalog Number:
AG01AYEN
Molecular Formula:
C10H13ClFN
Molecular Weight:
201.6683
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Product Description
Catalog Number:
AG01AYEN
Chemical Name:
3-chloro-4-fluoro-N-(2-methylpropyl)aniline
CAS Number:
1038734-58-5
Molecular Formula:
C10H13ClFN
Molecular Weight:
201.6683
MDL Number:
MFCD11189033
IUPAC Name:
3-chloro-4-fluoro-N-(2-methylpropyl)aniline
InChI:
InChI=1S/C10H13ClFN/c1-7(2)6-13-8-3-4-10(12)9(11)5-8/h3-5,7,13H,6H2,1-2H3
InChI Key:
LRTQWWFHBXLCSZ-UHFFFAOYSA-N
SMILES:
CC(CNc1ccc(c(c1)Cl)F)C
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.072g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.669g/mol
Monoisotopic Mass:
201.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties