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261762-85-0 | Benzenemethanamine, 2-chloro-6-fluoro-3-methyl-
CAS No: 261762-85-0 Catalog No: AG002S0S MDL No:MFCD01631395
Product Description
Catalog Number:
AG002S0S
Chemical Name:
Benzenemethanamine, 2-chloro-6-fluoro-3-methyl-
CAS Number:
261762-85-0
Molecular Formula:
C8H9ClFN
Molecular Weight:
173.6152
MDL Number:
MFCD01631395
IUPAC Name:
(2-chloro-6-fluoro-3-methylphenyl)methanamine
InChI:
InChI=1S/C8H9ClFN/c1-5-2-3-7(10)6(4-11)8(5)9/h2-3H,4,11H2,1H3
InChI Key:
YBTHUEGENCDRSW-UHFFFAOYSA-N
SMILES:
NCc1c(F)ccc(c1Cl)C
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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