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1836-73-3 | Benzene, 1-chloro-3-methyl-2-(4-nitrophenoxy)-
CAS No: 1836-73-3 Catalog No: AG0027QI MDL No:
Product Description
Catalog Number:
AG0027QI
Chemical Name:
Benzene, 1-chloro-3-methyl-2-(4-nitrophenoxy)-
CAS Number:
1836-73-3
Molecular Formula:
C13H10ClNO3
Molecular Weight:
263.6764
IUPAC Name:
1-chloro-3-methyl-2-(4-nitrophenoxy)benzene
InChI:
InChI=1S/C13H10ClNO3/c1-9-3-2-4-12(14)13(9)18-11-7-5-10(6-8-11)15(16)17/h2-8H,1H3
InChI Key:
NQQNPPIIAMHQFR-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl
EC Number:
217-403-4
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.677g/mol
Monoisotopic Mass:
263.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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