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Home Nitros Methyl 4-nitrobenzoate

Methyl 4-nitrobenzoate

CAS No.:
619-50-1
Catalog Number:
AG003RW3
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$275
- +
Product Description
Catalog Number:
AG003RW3
Chemical Name:
Methyl 4-nitrobenzoate
CAS Number:
619-50-1
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00007350
IUPAC Name:
methyl 4-nitrobenzoate
InChI:
InChI=1S/C8H7NO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3
InChI Key:
YOJAHJGBFDPSDI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)[N+](=O)[O-]
EC Number:
210-599-2
UNII:
NMN8CTH864
NSC Number:
4137
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Isopropyl 4-nitro-benzoate. Acta crystallographica. Section E, Structure reports online 20111001
2-Chloro-ethyl 4-nitro-benzoate. Acta crystallographica. Section E, Structure reports online 20101101
Methyl 4-nitro-benzoate. Acta crystallographica. Section E, Structure reports online 20091201
3,4-Diamino-pyridinium 4-nitro-benzoate-4-nitro-benzoic acid (1/1). Acta crystallographica. Section E, Structure reports online 20090801
Isomorphous brucinium 4-nitrobenzoate methanol solvate and brucinium 4-nitrobenzoate dihydrate. Acta crystallographica. Section C, Crystal structure communications 20070201
Properties