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1012305-33-7 | Benzenemethanamine, 3-chloro-4-fluoro-α-methyl-, (αR)-
CAS No: 1012305-33-7 Catalog No: AG00040B MDL No:MFCD06761889
Product Description
Catalog Number:
AG00040B
Chemical Name:
Benzenemethanamine, 3-chloro-4-fluoro-α-methyl-, (αR)-
CAS Number:
1012305-33-7
Molecular Formula:
C8H9ClFN
Molecular Weight:
173.6152
MDL Number:
MFCD06761889
IUPAC Name:
(1R)-1-(3-chloro-4-fluorophenyl)ethanamine
InChI:
InChI=1S/C8H9ClFN/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5H,11H2,1H3/t5-/m1/s1
InChI Key:
QHARBBFZGIDKLK-RXMQYKEDSA-N
SMILES:
C[C@H](c1ccc(c(c1)Cl)F)N
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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