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1025509-57-2 | 1,2-Benzenediamine, 5-chloro-N1-ethyl-4-methyl-
CAS No: 1025509-57-2 Catalog No: AG0007PB MDL No:MFCD20686405
Product Description
Catalog Number:
AG0007PB
Chemical Name:
1,2-Benzenediamine, 5-chloro-N1-ethyl-4-methyl-
CAS Number:
1025509-57-2
Molecular Formula:
C9H13ClN2
Molecular Weight:
184.6659
MDL Number:
MFCD20686405
IUPAC Name:
4-chloro-2-N-ethyl-5-methylbenzene-1,2-diamine
InChI:
InChI=1S/C9H13ClN2/c1-3-12-9-5-7(10)6(2)4-8(9)11/h4-5,12H,3,11H2,1-2H3
InChI Key:
IUIUBYFOESYTPH-UHFFFAOYSA-N
SMILES:
CCNc1cc(Cl)c(cc1N)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.077g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.667g/mol
Monoisotopic Mass:
184.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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