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88301-87-5 | Benzenamine, 2-(chloromethyl)-6-ethyl-
CAS No: 88301-87-5 Catalog No: AG0049HA MDL No:
Product Description
Catalog Number:
AG0049HA
Chemical Name:
Benzenamine, 2-(chloromethyl)-6-ethyl-
CAS Number:
88301-87-5
Molecular Formula:
C9H12ClN
Molecular Weight:
169.6513
IUPAC Name:
2-(chloromethyl)-6-ethylaniline
InChI:
InChI=1S/C9H12ClN/c1-2-7-4-3-5-8(6-10)9(7)11/h3-5H,2,6,11H2,1H3
InChI Key:
IQDHVJHXJCNISY-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1N)CCl
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.066g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.652g/mol
Monoisotopic Mass:
169.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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