Home Other Building Blocks 5465-34-9
5465-34-9,MFCD00031128
Catalog No.:AA00DBBD
5465-34-9 | NSC28975
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95.0%
3 weeks  
$138.00
- +
250mg
95.0%
3 weeks  
$184.00
- +
500mg
95.0%
3 weeks  
$310.00
- +
1g
95.0%
3 weeks  
$456.00
- +
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Technical Information
Catalog Number:
AA00DBBD
Chemical Name:
NSC28975
CAS Number:
5465-34-9
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD00031128
IUPAC Name:
2-amino-5-methyl-3-nitrobenzoic acid
InChI:
InChI=1S/C8H8N2O4/c1-4-2-5(8(11)12)7(9)6(3-4)10(13)14/h2-3H,9H2,1H3,(H,11,12)
InChI Key:
RRUISNJFUYWQKF-UHFFFAOYSA-N
SMILES:
Cc1cc([N+](=O)[O-])c(c(c1)C(=O)O)N
NSC Number:
28975
Properties
Computed Properties
 
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
2-amino-5-methyl-3-nitrobenzoic acid 
5465-34-9 
ZINC4522412 
7924AB 
NSC-28975 
AKOS016000594 
2-Amino-5-methyl-3-nitro-benzoic acid 
AJ-51484 
Benzoic acid, 2-amino-5-methyl-3-nitro- 
TX-016267 
FT-0701546 
EN300-67284 
NSC28975 
W-3977 
C8H8N2O4 
2-Amino-5-methyl-3-nitrobenzoicacid 
AR-1D8508 
CID231984 
6323-50-8 
AC1L5MVZ 
AC1Q2GTH 
AC1Q5AKV 
SCHEMBL505297 
CTK5A2098 
DTXSID70282957 
RRUISNJFUYWQKF-UHFFFAOYSA-N 
Literature
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