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16230-87-8,MFCD01721818
Catalog No.:AA001SX5
16230-87-8 | (2-Methyl-4-nitro-1h-imidazol-1-yl)acetic acid
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Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$374.00   $262.00
- +
5g
95%
in stock  
$1,262.00   $884.00
- +
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Technical Information
Catalog Number:
AA001SX5
Chemical Name:
(2-Methyl-4-nitro-1h-imidazol-1-yl)acetic acid
CAS Number:
16230-87-8
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
MDL Number:
MFCD01721818
IUPAC Name:
2-(2-methyl-4-nitroimidazol-1-yl)acetic acid
InChI:
InChI=1S/C6H7N3O4/c1-4-7-5(9(12)13)2-8(4)3-6(10)11/h2H,3H2,1H3,(H,10,11)
InChI Key:
NLTLZGISRLBDJI-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1cc(nc1C)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.044g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.139g/mol
Monoisotopic Mass:
185.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

Synonyms
 
16230-87-8 
(2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid 
AC1L4CHD 
AC1Q2OQT 
CTK0H8798 
DTXSID50167354 
ALBB-009747 
ZINC2383213 
5202AD 
BBL009857 
MFCD01721818 
SBB021654 
2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid 
STK298623 
AKOS000266305 
AKOS015922312 
CCG-202909 
MCULE-5833290460 
AJ-34947 
LS-78008 
TR-061389 
(2-methyl-4-nitroimidazol-1-yl)acetic acid 
EU-0099993 
Imidazole-1-acetic acid, 2-methyl-4-nitro- 
ST45091651 
2-Methyl-4-nitro-1H-imidazole-1-acetic acid 
EN300-54557 
2-(2-methyl-4-nitroimidazol-1-yl)acetic acid 
W-8588 
Z910843110 
C6H7N3O4 
C6-H7-N3-O4 
CID204395 
5-23-05-00083 (Beilstein Handbook Reference) 
BRN 0615160 
2-Methyl-4-nitroimidazole-1-acetic acid 
1H-Imidazole-1-acetic acid, 2-methyl-4-nitro- 
1-carboxymethyl-2-methyl-4-nitroimidazole 
1H-Imidazole-1-aceticacid, 2-methyl-4-nitro- 
2-(2-methyl-4-nitroimidazolyl)acetic acid 
Literature
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