AG001I3D

14227-18-0 | Benzene, 1,3,5-trimethoxy-2-nitro-

AG001I3D

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CAS Number	14227-18-0
Catalog Number	AG001I3D(AGN-PC-0JS8LX)
Chemical Name	Benzene, 1,3,5-trimethoxy-2-nitro-
IUPAC Name	1,3,5-trimethoxy-2-nitrobenzene
InChI	InChI=1S/C9H11NO5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5H,1-3H3
InChI Key	VWYAWLZEMLQGJH-UHFFFAOYSA-N
MDL Number	MFCD00016992
Molecular Formula	C9H11NO5
Molecular Weight	213.1873
SMILES	O=[N+](C1=C(OC)C=C(OC)C=C1OC)[O-]
Synonyms	1,3,5-Trimethoxy-2-nitrobenzene, 14227-18-0, 2,4,6-Trimethoxynitrobenzene, 1-Nitro-2,4,6-trimethoxybenzene, Benzene,1,3,5-trimethoxy-2-nitro-, Benzene, 1,3,5-trimethoxy-2-nitro-, MFCD00016992, AC1LARDH, ACMC-20ap5l, Maybridge1_001624, SCHEMBL6826066, CTK4C3025, HMS546B18, KS-00002BIQ, DTXSID20333847, VWYAWLZEMLQGJH-UHFFFAOYSA-N, 2-Nitro-1,3,5-trimethoxybenzene, ZINC132335, 1,3,5-trimethoxy-2-nitro-benzene, STR04290, ZX-AT018287, OR1288, SBB016956, 1,3,5-Trimethoxy-2-nitrobenzene #, AKOS022180285, CCG-234218, MCULE-6899811792, VZ22415, AJ-12119, AK-59385, BP-11358, CC-07184, ZB004588, TC-172272, FT-0606516, ST50307778, A807880, C-11227, J-007628, I14-62428, CID518903, ZINC00132335,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.064g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.189g/mol
Monoisotopic Mass	213.064g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	73.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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