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30377-63-0 | 1,2-Benzenediamine, N1-ethyl-4-(trifluoromethyl)-
CAS No: 30377-63-0 Catalog No: AG002ZXC MDL No:
Product Description
Catalog Number:
AG002ZXC
Chemical Name:
1,2-Benzenediamine, N1-ethyl-4-(trifluoromethyl)-
CAS Number:
30377-63-0
Molecular Formula:
C9H11F3N2
Molecular Weight:
204.1922
IUPAC Name:
1-N-ethyl-4-(trifluoromethyl)benzene-1,2-diamine
InChI:
InChI=1S/C9H11F3N2/c1-2-14-8-4-3-6(5-7(8)13)9(10,11)12/h3-5,14H,2,13H2,1H3
InChI Key:
MOQFNDFDNBIIHW-UHFFFAOYSA-N
SMILES:
CCNc1ccc(cc1N)C(F)(F)F
EC Number:
250-161-8
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.196g/mol
Monoisotopic Mass:
204.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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