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115437-04-2 | Benzenamine, N-(3-chloro-1,2,2-trimethylpropylidene)-4-methyl-
CAS No: 115437-04-2 Catalog No: AG000FZP MDL No:
Product Description
Catalog Number:
AG000FZP
Chemical Name:
Benzenamine, N-(3-chloro-1,2,2-trimethylpropylidene)-4-methyl-
CAS Number:
115437-04-2
Molecular Formula:
C13H18ClN
Molecular Weight:
223.7417
IUPAC Name:
4-chloro-3,3-dimethyl-N-(4-methylphenyl)butan-2-imine
InChI:
InChI=1S/C13H18ClN/c1-10-5-7-12(8-6-10)15-11(2)13(3,4)9-14/h5-8H,9H2,1-4H3
InChI Key:
SXPZYOLARLOEIP-UHFFFAOYSA-N
SMILES:
ClCC(C(=Nc1ccc(cc1)C)C)(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.113g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.744g/mol
Monoisotopic Mass:
223.113g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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