AG00DFTN

53257-40-2 | 5-(2-Nitrophenyl)-2H-tetrazole

AG00DFTN

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CAS Number	53257-40-2
Catalog Number	AG00DFTN(AGN-PC-0OBUPD)
Chemical Name	5-(2-Nitrophenyl)-2H-tetrazole
IUPAC Name	5-(2-nitrophenyl)-2H-tetrazole
InChI	InChI=1S/C7H5N5O2/c13-12(14)6-4-2-1-3-5(6)7-8-10-11-9-7/h1-4H,(H,8,9,10,11)
InChI Key	HENCYJMPEDACFZ-UHFFFAOYSA-N
MDL Number	MFCD08234399
Molecular Formula	C7H5N5O2
Molecular Weight	191.1469
SMILES	[O-][N+](C1=C(C2=NNN=N2)C=CC=C1)=O
Synonyms	5-(2-nitrophenyl)-2H-tetrazole, 53257-40-2, 5-(2-nitrophenyl)-1H-tetrazole, AC1LDJS4, 5-(o-nitrophenyl)tetrazole, Oprea1_141383, SCHEMBL1956546, SCHEMBL13588347, CTK4J7375, DTXSID80349909, MFCD08234399, STL279500, ZINC32313328, AKOS011106771, AKOS027255195, MCULE-3601058318, ST001669, TZ000662, CS-0036865, 5-(2-nitrophenyl)-1H-1,2,3,4-tetraazole, 5-(2-NITROPHENYL)-1H-1,2,3,4-TETRAZOLE, InChI=1/C7H5N5O2/c13-12(14)6-4-2-1-3-5(6)7-8-10-11-9-7/h1-4H,(H,8,9,10,11, CID668270,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.044g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	191.15g/mol
Monoisotopic Mass	191.044g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	100A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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