AG00AOSC

17200-30-5 | 6-nitro-1,3-benzoxazole

AG00AOSC

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CAS Number	17200-30-5
Catalog Number	AG00AOSC(AGN-PC-0KL74G)
Chemical Name	6-nitro-1,3-benzoxazole
IUPAC Name	6-nitro-1,3-benzoxazole
InChI	InChI=1S/C7H4N2O3/c10-9(11)5-1-2-6-7(3-5)12-4-8-6/h1-4H
InChI Key	NNESGHWUVLNAML-UHFFFAOYSA-N
MDL Number	MFCD00797933
Molecular Formula	C7H4N2O3
Molecular Weight	164.1183
SMILES	[N+](=O)([O-])C2=CC1=C(N=CO1)C=C2
Synonyms	17200-30-5, 6-nitrobenzo[d]oxazole, 6-nitro-1,3-benzoxazole, 6-nitrobenzoxazole, 6-Nitro-benzooxazole, NNESGHWUVLNAML-UHFFFAOYSA-N, AK-32055, AC1MDRXO, PubChem17705, Benzoxazole, 6-nitro-, ACMC-1CJ7E, SCHEMBL7029620, CTK4D4102, DTXSID60383427, ZINC168375, CS-D1046, KS-00000FH1, ZX-RL001633, ANW-49831, FCH920719, MFCD00797933, SBB087762, AKOS005070120, MCULE-1542419737, QC-1140, RP10295, ACM17200305, AC-27281, AJ-16850, BR-32055, CJ-02420, EN002352, OR110717, SC-87650, SY018719, ZB008948, AB0022810, AB1006318, AX8109820, DB-011496, TC-063697, 4CH-003166, A3788, AM20061206, FT-0680211, ST24029830, W3745, MFCD00797933 (95%), 2P-029, C-6312, J-518958, I14-10765, I14-63580, null, C7H4N2O3, ZINC00168375, CID2794803,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.022g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.12g/mol
Monoisotopic Mass	164.022g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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