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Home Other Building Blocks 4-Nitrophenyl isocyanate

4-Nitrophenyl isocyanate

CAS No.:
100-28-7
Catalog Number:
AG00006N
Molecular Formula:
C7H4N2O3
Molecular Weight:
164.1183
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(GC)
In Stock USA
United States
$43
- +
5g
98%(GC)
In Stock USA
United States
$68
- +
25g
98%(GC)
In Stock USA
United States
$183
- +
100g
98%(GC)
In Stock USA
United States
$593
- +
Product Description
Catalog Number:
AG00006N
Chemical Name:
4-Nitrophenyl isocyanate
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
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  
Literature
Title Journal
Heteroarotinoids with anti-cancer activity against ovarian cancer cells. The open medicinal chemistry journal 20070101
Properties