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16098-16-1

16098-16-1 | 1,1'-Biphenyl, 4-methoxy-2-nitro-

CAS No: 16098-16-1 Catalog No: AG001VKR MDL No:

Product Description

Catalog Number:
AG001VKR
Chemical Name:
1,1'-Biphenyl, 4-methoxy-2-nitro-
CAS Number:
16098-16-1
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
IUPAC Name:
4-methoxy-2-nitro-1-phenylbenzene
InChI:
InChI=1S/C13H11NO3/c1-17-11-7-8-12(13(9-11)14(15)16)10-5-3-2-4-6-10/h2-9H,1H3
InChI Key:
NJWRQRNSXPDHMJ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])c1ccccc1

Properties

Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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