Home Nitro Compounds 102714-71-6
102714-71-6,MFCD00017564
Catalog No.:AA00084W
102714-71-6 | Benzonitrile, 4,5-dimethoxy-2-nitro-
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1g
98%
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$54.00   $38.00
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5g
98%
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$157.00   $110.00
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Technical Information
Catalog Number:
AA00084W
Chemical Name:
Benzonitrile, 4,5-dimethoxy-2-nitro-
CAS Number:
102714-71-6
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
MDL Number:
MFCD00017564
IUPAC Name:
4,5-dimethoxy-2-nitrobenzonitrile
InChI:
InChI=1S/C9H8N2O4/c1-14-8-3-6(5-10)7(11(12)13)4-9(8)15-2/h3-4H,1-2H3
InChI Key:
NQSQQGDTYKGCOT-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(cc1OC)C#N
Properties
Computed Properties
 
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
4,5-Dimethoxy-2-nitrobenzonitrile 
102714-71-6 
PubChem4768 
ACMC-1BPCA 
AC1LTNO1 
AC1Q46I6 
SCHEMBL2773208 
CTK4A1423 
DTXSID70363674 
NQSQQGDTYKGCOT-UHFFFAOYSA-N 
KS-000012XZ 
ZINC1431720 
6-Nitroveratronitrile 
ZX-AT010303 
0657AA 
ANW-14736 
MFCD00017564 
OR2737 
SBB039884 
STK741345 
AKOS000271460 
AC-9277 
AN-7152 
4,5-Dimethoxy-2-nitro-benzonitrile 
AS05844 
CM13062 
FS-3933 
LS10268 
MCULE-8269272528 
RTR-000651 
VZ27578 
4,5-Dimethoxy-2-nitrobenzonitrile, 98% 
4,5-Dimethoxy-2-nitrobenzonitrile, 99% 
AJ-25852 
Benzonitrile,4,5-dimethoxy-2-nitro- 
CC-17315 
CJ-23351 
SC-65402 
4,5-dimethoxy-2-nitro-benzenecarbonitrile 
AX8007588 
ST2417897 
ST4116172 
TR-000651 
D2984 
FT-0642496 
2-nitro-4,5-dimethoxybenzonitrile 
TL80074100 
A800606 
C-10555 
J-000773 
I14-35946 
A3771/0160011 
InChI=1/C9H8N2O4/c1-14-8-3-6(5-10)7(11(12)13)4-9(8)15-2/h3-4H,1-2H 
C9H8N2O4 
ZINC01431720 
CID1511288 
4,5-dimethoxy-2-nitro benzonitrile 
S-7955 
4,5-Dimethoxy-2-nitrobenzonitrile, 98% - 25G 25g 
1-Cyano-4,5-dimethoxy-2-nitrobenzene 
Benzonitrile, 4,5-dimethoxy-2-nitro- 
4,5-dimethoxy-2-nitrobenzenecarbonitrile 
Literature
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