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17815-98-4 | Benzenamine, 3-chloro-N,N-dimethyl-4-nitro-
CAS No: 17815-98-4 Catalog No: AG0025SQ MDL No:
Product Description
Catalog Number:
AG0025SQ
Chemical Name:
Benzenamine, 3-chloro-N,N-dimethyl-4-nitro-
CAS Number:
17815-98-4
Molecular Formula:
C8H9ClN2O2
Molecular Weight:
200.6223
IUPAC Name:
3-chloro-N,N-dimethyl-4-nitroaniline
InChI:
InChI=1S/C8H9ClN2O2/c1-10(2)6-3-4-8(11(12)13)7(9)5-6/h3-5H,1-2H3
InChI Key:
WIMREYFCEAFIOB-UHFFFAOYSA-N
SMILES:
CN(c1ccc(c(c1)Cl)[N+](=O)[O-])C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.622g/mol
Monoisotopic Mass:
200.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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