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1836-74-4 | Benzene, 1-chloro-4-(4-nitrophenoxy)-
CAS No: 1836-74-4 Catalog No: AG0027QH MDL No:MFCD00024652
Product Description
Catalog Number:
AG0027QH
Chemical Name:
Benzene, 1-chloro-4-(4-nitrophenoxy)-
CAS Number:
1836-74-4
Molecular Formula:
C12H8ClNO3
Molecular Weight:
249.6498
MDL Number:
MFCD00024652
IUPAC Name:
1-(4-chlorophenoxy)-4-nitrobenzene
InChI:
InChI=1S/C12H8ClNO3/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H
InChI Key:
GDEZSMXXDMVYHT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
EC Number:
217-405-5
NSC Number:
12989
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.019g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.65g/mol
Monoisotopic Mass:
249.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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