AG002S9M

2620-44-2 | 1,​3-​Benzodioxole, 5-​nitro-

AG002S9M

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CAS Number	2620-44-2
Catalog Number	AG002S9M(AGN-PC-0JLPLF)
Chemical Name	1,​3-​Benzodioxole, 5-​nitro-
EC Number	220-055-6
IUPAC Name	5-nitro-1,3-benzodioxole
InChI	InChI=1S/C7H5NO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2
InChI Key	SNWQAKNKGGOVMO-UHFFFAOYSA-N
MDL Number	MFCD00005824
Molecular Formula	C7H5NO4
Molecular Weight	167.1189
NSC Number	5562
SMILES	N(=O)(=O)c1cc2c(cc1)OCO2
Synonyms	2620-44-2, 5-nitrobenzo[d][1,3]dioxole, 5-Nitro-1,3-benzodioxole, 1,2-(Methylenedioxy)-4-nitrobenzene, 3,4-Methylenedioxynitrobenzene, 1,3-Benzodioxole, 5-nitro-, Methylenedioxynitrobenzene, 5-Nitrobenzodioxole, 1,2-methylenedioxy-4-nitrobenzene, 3,4-(Methylenedioxy)-1-nitrobenzene, 5-nitro-2H-1,3-benzodioxole, Benzene, 1,2-(methylenedioxy)-4-nitro-, CHEMBL379408, SNWQAKNKGGOVMO-UHFFFAOYSA-N, MFCD00005824, W-107190, NSC5562, NSC 5562, EINECS 220-055-6, PubChem22908, ACMC-1CCUS, AC1L2PJG, AC1Q1ZSZ, 3,4methylenedioxynitrobenzene, 1,3-Benzodioxole,5-nitro-, SCHEMBL141303, 4,5-Methylenedioxynitrobenzene, Jsp005156, DTXSID5062558, CTK4F7390, 1-nitro-3,4-methylenedioxybenzene, 4,5-methylenedioxy-1-nitrobenzene, ZINC566580, NSC-5562, ZX-AT007347, 5-nitro-2H-benzo[d]1,3-dioxolene, ANW-25929, BDBM50023678, STK318151, Benzene,2-(methylenedioxy)-4-nitro-, AKOS002846253, AKOS015889598, FCH1112904, MCULE-6737368383, OR18289, PS-4024, VZ20380, AJ-23514, AK-89553, CC-02671, K843, ZB014439, AX8004454, DB-046888, ST2418839, TC-114674, 1,2-(Methylenedioxy)-4-nitrobenzene, 98%, 4CH-014151, CS-0059218, FT-0606468, M0848, ST45025429, K-6809, 620M442, C-04864, I01-19587, F0001-3419, InChI=1/C7H5NO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H, 1, 5-nitro-, C7H5NO4, C7-H5-N-O4, CID75798, AR-1G9074, 27025-00-9, 599-67-7,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.022g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	167.12g/mol
Monoisotopic Mass	167.022g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	64.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

Lot Number