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823190-02-9 | Benzenemethanamine, 2-chloro-N-(2,2,2-trifluoroethyl)-
CAS No: 823190-02-9 Catalog No: AG005FDO MDL No:
Product Description
Catalog Number:
AG005FDO
Chemical Name:
Benzenemethanamine, 2-chloro-N-(2,2,2-trifluoroethyl)-
CAS Number:
823190-02-9
Molecular Formula:
C9H9ClF3N
Molecular Weight:
223.6227
IUPAC Name:
N-[(2-chlorophenyl)methyl]-2,2,2-trifluoroethanamine
InChI:
InChI=1S/C9H9ClF3N/c10-8-4-2-1-3-7(8)5-14-6-9(11,12)13/h1-4,14H,5-6H2
InChI Key:
ZXBMYWSXMSZRKM-UHFFFAOYSA-N
SMILES:
Clc1ccccc1CNCC(F)(F)F
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.623g/mol
Monoisotopic Mass:
223.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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