Home Nitro Compounds 1019-52-9
1019-52-9,MFCD00017000
Catalog No.:AA0005SI
1019-52-9 | Benzoic acid, 4-hydroxy-3,5-dinitro-
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1g
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$115.00   $80.00
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5g
98%
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$311.00   $218.00
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Technical Information
Catalog Number:
AA0005SI
Chemical Name:
Benzoic acid, 4-hydroxy-3,5-dinitro-
CAS Number:
1019-52-9
Molecular Formula:
C7H4N2O7
Molecular Weight:
228.1159
MDL Number:
MFCD00017000
IUPAC Name:
4-hydroxy-3,5-dinitrobenzoic acid
InChI:
InChI=1S/C7H4N2O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H,(H,11,12)
InChI Key:
GBSWIDSKAJFWMF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])C(=O)O
EC Number:
213-814-8
Properties
Computed Properties
 
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.002g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
228.116g/mol
Monoisotopic Mass:
228.002g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
4-Hydroxy-3,5-dinitrobenzoic acid 
1019-52-9 
SCHEMBL503443 
CTK4A0477 
DTXSID30144325 
ZINC2004507 
4-hydroxy-3,5-dinitro-benzoic acid 
SBB028554 
STK370820 
4-Hydroxy-3,5-dinitrobenzoic acid # 
AKOS000482900 
Benzoic acid,4-hydroxy-3,5-dinitro- 
3,5-Dinitro-4-hydroxybenzoic acid 
MCULE-5411932198 
ACM41430255 
Benzoic acid, 4-hydroxy-3,5-dinitro- 
41430-25-5 
4-Hydroxy-3,5-dinitrobenzoic acid, 98+% 
TC-169914 
FT-0614711 
I14-56987 
InChI=1/C7H4N2O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H,(H,11,12 
AIDS019519 
GBSWIDSKAJFWMF-UHFFFAOYSA-N 
C7-H4-N2-O7 
CID70552 
AR-1G2677 
3,5-DINITRO-4-HYDROXYBENZOICACID 
102433-05-6 
MFCD00017000 
AG-205/03640024 
EINECS 213-814-8 
ACMC-20anc3 
AC1L2EBZ 
AC1Q5AK9 
Literature
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