Home Halogens Benzenemethanamine, 4-chloro-3-fluoro-.alpha.-methyl-

Benzenemethanamine, 4-chloro-3-fluoro-.alpha.-methyl-

CAS No.:
787633-87-8
Catalog Number:
AG00GA7Y
Molecular Formula:
C8H9ClFN
Molecular Weight:
173.6152
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Product Description
Catalog Number:
AG00GA7Y
Chemical Name:
Benzenemethanamine, 4-chloro-3-fluoro-.alpha.-methyl-
CAS Number:
787633-87-8
Molecular Formula:
C8H9ClFN
Molecular Weight:
173.6152
MDL Number:
MFCD17170312
IUPAC Name:
1-(4-chloro-3-fluorophenyl)ethanamine
InChI:
InChI=1S/C8H9ClFN/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3
InChI Key:
SRVZZCBLNXFARS-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(c1)F)Cl)N
Properties
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.041g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.615g/mol
Monoisotopic Mass:
173.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties