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Home Other Building Blocks 4-Nitrophenoxyacetic acid

4-Nitrophenoxyacetic acid

CAS No.:
1798-11-4
Catalog Number:
AG0027A7
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$25
- +
100g
97%
In Stock USA
United States
$69
- +
500g
97%
In Stock USA
United States
$313
- +
Product Description
Catalog Number:
AG0027A7
Chemical Name:
4-Nitrophenoxyacetic acid
CAS Number:
1798-11-4
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD00017030
IUPAC Name:
2-(4-nitrophenoxy)acetic acid
InChI:
InChI=1S/C8H7NO5/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H,10,11)
InChI Key:
AVDLFIONKHGQAP-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)[N+](=O)[O-]
EC Number:
217-283-3
NSC Number:
166278
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.032g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.146g/mol
Monoisotopic Mass:
197.032g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Ethyl 2-(4-nitro-phen-oxy)acetate. Acta crystallographica. Section E, Structure reports online 20120501
Properties