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Home > Nitro Compounds > 101-63-3
101-63-3 | Benzene, 1,1'-oxybis[4-nitro-
CAS No: 101-63-3 Catalog No: AG0003G2 MDL No:MFCD00059182
Product Description
Catalog Number:
AG0003G2
Chemical Name:
Benzene, 1,1'-oxybis[4-nitro-
CAS Number:
101-63-3
Molecular Formula:
C12H8N2O5
Molecular Weight:
260.2023
MDL Number:
MFCD00059182
IUPAC Name:
1-nitro-4-(4-nitrophenoxy)benzene
InChI:
InChI=1S/C12H8N2O5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H
InChI Key:
MWAGUKZCDDRDCS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
EC Number:
202-961-3
UNII:
T852Y5UXCE
NSC Number:
8740
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.043g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.205g/mol
Monoisotopic Mass:
260.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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