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1004284-08-5 | Benzeneethanamine, 2,4-dichloro-α-ethyl-
CAS No: 1004284-08-5 Catalog No: AG0001YP MDL No:MFCD11937066
Product Description
Catalog Number:
AG0001YP
Chemical Name:
Benzeneethanamine, 2,4-dichloro-α-ethyl-
CAS Number:
1004284-08-5
Molecular Formula:
C10H13Cl2N
Molecular Weight:
218.1229
MDL Number:
MFCD11937066
IUPAC Name:
1-(2,4-dichlorophenyl)butan-2-amine
InChI:
InChI=1S/C10H13Cl2N/c1-2-9(13)5-7-3-4-8(11)6-10(7)12/h3-4,6,9H,2,5,13H2,1H3
InChI Key:
MXSWGTIGKBARQA-UHFFFAOYSA-N
SMILES:
CCC(Cc1ccc(cc1Cl)Cl)N
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.121g/mol
Monoisotopic Mass:
217.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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