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10265-98-2 | Benzene, 1-chloro-2-nitro-4-phenoxy-
CAS No: 10265-98-2 Catalog No: AG00081H MDL No:
Product Description
Catalog Number:
AG00081H
Chemical Name:
Benzene, 1-chloro-2-nitro-4-phenoxy-
CAS Number:
10265-98-2
Molecular Formula:
C12H8ClNO3
Molecular Weight:
249.6498
IUPAC Name:
1-chloro-2-nitro-4-phenoxybenzene
InChI:
InChI=1S/C12H8ClNO3/c13-11-7-6-10(8-12(11)14(15)16)17-9-4-2-1-3-5-9/h1-8H
InChI Key:
JBYYPNXZPRPIPL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Cl)Oc1ccccc1
Properties
Complexity:
263
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:
3.8
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