AG003IIZ

528-45-0 | 3,4-Dinitrobenzoic acid

AG003IIZ

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CAS Number	528-45-0
Catalog Number	AG003IIZ(AGN-PC-0JK9NY)
Chemical Name	3,4-Dinitrobenzoic acid
EC Number	208-433-9
IUPAC Name	3,4-dinitrobenzoic acid
InChI	InChI=1S/C7H4N2O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)
InChI Key	OMVRRHJJQILIJX-UHFFFAOYSA-N
MDL Number	MFCD00007255
Molecular Formula	C7H4N2O6
Molecular Weight	212.1165
NSC Number	60713
SMILES	O=C(O)c1ccc(c(c1)N(=O)=O)N(=O)=O
UNII	0L3N4T0GPD
Synonyms	3,4-DINITROBENZOIC ACID, 528-45-0, Benzoic acid, 3,4-dinitro-, UNII-0L3N4T0GPD, CCRIS 3128, 3,4-Dinitrobenzioc acid, EINECS 208-433-9, MFCD00007255, NSC 60713, BRN 2055333, 0L3N4T0GPD, MLS002693298, OMVRRHJJQILIJX-UHFFFAOYSA-N, 3,4-dinitrobenzoate, AE-562/43460137, W-105792, 3,4-Di-nitro-benzoic acid, zlchem 522, PubChem4956, 3,4-DinitrobenzoicAcid, 3,4-Dinitro-benzoic acid, ACMC-209l2a, AC1L1VS5, 4-09-00-01242 (Beilstein Handbook Reference), KSC494A5T, SCHEMBL504055, CHEMBL1882824, DTXSID1060180, 3,4-Dinitrobenzoic acid, 99%, CTK3J4059, KS-00000CBP, ZLC0387, HMS3094E19, ACN-S004067, ACT12231, NSC60713, STR05213, ZINC4743013, ZX-AT006501, ACM528450, ANW-31568, EBD581159, NSC-60713, OR3469, AKOS015889640, CM12705, MCULE-9804316172, RP04826, SB10518, TRA0039100, AC-26045, AJ-52125, AN-45586, BC215442, BP-10579, CC-13309, D141, LS-37274, SC-75959, SMR001559255, SY002679, AX8004266, DB-021951, RT-001838, 3,4-Dinitrobenzoic acid, analytical standard, D0823, FT-0614389, ST24041165, MFCD00007255 (98%), A20328, Z-3327, 528D450, C-11066, I01-2736, InChI=1/C7H4N2O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11, PHTHALONIC ACID, Benzoic acid,4-dinitro-, C7H4N2O6, C7-H4-N2-O6, CID10709, 3,4-Dinitrobenzoic acid, 99% - 100G 100g,

Complexity	293
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.007g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.117g/mol
Monoisotopic Mass	212.007g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	129A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number