Home Nitro Compounds 100-28-7
100-28-7,MFCD00007306
Catalog No.:AA00003V
Benzene, 1-isocyanato-4-nitro- | 100-28-7
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1g
98%(GC)
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$34.00
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5g
98%(GC)
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25g
98%(GC)
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00003V
Chemical Name:
Benzene, 1-isocyanato-4-nitro-
CAS Number:
100-28-7
Molecular Formula:
C7H4N2O3
Molecular Weight:
164.1183
MDL Number:
MFCD00007306
IUPAC Name:
1-isocyanato-4-nitrobenzene
InChI:
InChI=1S/C7H4N2O3/c10-5-8-6-1-3-7(4-2-6)9(11)12/h1-4H
InChI Key:
GFNKTLQTQSALEJ-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)[N+](=O)[O-]
EC Number:
202-836-3
NSC Number:
9800
Properties
Computed Properties
 
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.022g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.12g/mol
Monoisotopic Mass:
164.022g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
4-Nitrophenyl isocyanate 
100-28-7 
Isocyanic Acid 4-Nitrophenyl Ester 
NSC 9800 
EINECS 202-836-3 
TIMTEC-BB SBB006628 
GFNKTLQTQSALEJ-UHFFFAOYSA-N 
MFCD00007306 
4-nitrobenzenisocyanate 
4-Nitrophenyl isocyanate, 98% 
4-nitrophenylisocyanat 
4-nitrophenylisocynate 
1-Isocyanato-4-nitrobenzene 
PubChem15604 
para-nitrophenylisocyanate 
AC1Q1XKS 
4-nitro phenyl isocyanate 
ACMC-209u7m 
AC1L24FB 
1-isocyanato-4-nitro-benzen 
SCHEMBL62027 
1-nitro-4-isocyanato-benzene 
isocyanicacid,p-nitrophenylester 
p-Nitrophenyl isocyanate 
benzene,1-isocyanato-4-nitro- 
PARAGOS 331052 
Jsp000083 
4-Nitrophenyl isocyanate, 97% 
CTK3J0117 
DTXSID80870440 
NSC9800 
ALBB-007522 
KS-00000W3K 
NSC-9800 
Benzene, 1-isocyanato-4-nitro- 
ZINC4262255 
ANW-43424 
BBL104420 
GEO-03995 
SBB006628 
STK504592 
AKOS000202535 
AB00871 
AS04380 
MCULE-7274163765 
4-Nitrophenylisocyanate 
RTR-000103 
TRA0016028 
LS-30395 
QC-10841 
SC-20360 
Isocyanic acid, p-nitrophenyl ester (8CI) 
TR-000103 
BB 0254176 
FT-0619263 
ST45021470 
p-Nitrophenylisocyanate 
00N287 
K-0162 
I01-1975 
J-000084 
Z1741971135 
C7H4N2O3 
C7-H4-N2-O3 
CID66012 
I0129 
A16162 
Isocyanic acid, p-nitrophenyl ester 
1-isocyanato-4-nitro-benzene 
AI3-28253 
Literature

Title: Heteroarotinoids with anti-cancer activity against ovarian cancer cells.

Journal: The open medicinal chemistry journal 20070101

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