Home Nitros 1-Methyl 2-nitroterephthalate

1-Methyl 2-nitroterephthalate

CAS No.:
35092-89-8
Catalog Number:
AG003EGR
Molecular Formula:
C9H7NO6
Molecular Weight:
225.1550
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$23
- +
5g
95%
In Stock USA
United States
$57
- +
25g
95%
In Stock USA
United States
$225
- +
100g
95%
In Stock USA
United States
$563
- +
250g
95%
In Stock USA
United States
$1125
- +
Product Description
Catalog Number:
AG003EGR
Chemical Name:
1-Methyl 2-nitroterephthalate
CAS Number:
35092-89-8
Molecular Formula:
C9H7NO6
Molecular Weight:
225.1550
MDL Number:
MFCD00024510
IUPAC Name:
4-methoxycarbonyl-3-nitrobenzoic acid
InChI:
InChI=1S/C9H7NO6/c1-16-9(13)6-3-2-5(8(11)12)4-7(6)10(14)15/h2-4H,1H3,(H,11,12)
InChI Key:
MIIADZYPHVTLPR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1[N+](=O)[O-])C(=O)O
EC Number:
252-360-5
NSC Number:
151109
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.027g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.156g/mol
Monoisotopic Mass:
225.027g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties