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756902-17-7 | Benzenamine, N-[2-(2-methoxyethoxy)ethyl]-4,5-dimethyl-2-nitro-
CAS No: 756902-17-7 Catalog No: AG005IUB MDL No:
Product Description
Catalog Number:
AG005IUB
Chemical Name:
Benzenamine, N-[2-(2-methoxyethoxy)ethyl]-4,5-dimethyl-2-nitro-
CAS Number:
756902-17-7
Molecular Formula:
C13H20N2O4
Molecular Weight:
268.3089
IUPAC Name:
N-[2-(2-methoxyethoxy)ethyl]-4,5-dimethyl-2-nitroaniline
InChI:
InChI=1S/C13H20N2O4/c1-10-8-12(13(15(16)17)9-11(10)2)14-4-5-19-7-6-18-3/h8-9,14H,4-7H2,1-3H3
InChI Key:
FTSFTWXUTKOXLS-UHFFFAOYSA-N
SMILES:
COCCOCCNc1cc(C)c(cc1[N+](=O)[O-])C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.313g/mol
Monoisotopic Mass:
268.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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