AG007MX1

23856-20-4 | 1-Benzyl-5-nitro-1H-indazole

AG007MX1

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CAS Number	23856-20-4
Catalog Number	AG007MX1(AGN-PC-03I7MQ)
Chemical Name	1-Benzyl-5-nitro-1H-indazole
IUPAC Name	1-benzyl-5-nitroindazole
InChI	InChI=1S/C14H11N3O2/c18-17(19)13-6-7-14-12(8-13)9-15-16(14)10-11-4-2-1-3-5-11/h1-9H,10H2
InChI Key	KACWEIWGSHNESJ-UHFFFAOYSA-N
MDL Number	MFCD08275706
Molecular Formula	C14H11N3O2
Molecular Weight	253.2560
SMILES	C(C1=CC=CC=C1)[N]3C2=CC=C(C=C2C=N3)[N+](=O)[O-]
Synonyms	1-Benzyl-5-nitro-1H-indazole, 23856-20-4, 1-benzyl-5-nitroindazole, C14H11N3O2, MFCD08275706, AK-22015, 5-nitro-1-benzyl-1H-indazole, SCHEMBL1728790, CTK4F2433, KS-00000HLF, DTXSID60620662, KACWEIWGSHNESJ-UHFFFAOYSA-N, ZINC8698499, ANW-52248, SBB101261, 1-benzyl-5-aminoindazole hydrochloride, AKOS015839356, CS-W003497, DS-0212, FCH2713443, ACM23856204, 1H-Indazole,5-nitro-1-(phenylmethyl)-, AJ-58120, BR-22015, SY017210, AB0023648, AX8159525, DB-001539, ST2408652, TR-011049, 4CH-008317, FT-0702859, W4749, MFCD08275706 (95%), S-3599, 81616-80-0,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.085g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	253.261g/mol
Monoisotopic Mass	253.085g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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