AG00BZFW

39835-08-0 | 6-NITRO-1,2-BENZISOXAZOLE

AG00BZFW

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CAS Number	39835-08-0
Catalog Number	AG00BZFW(AGN-PC-0O9WQB)
Chemical Name	6-NITRO-1,2-BENZISOXAZOLE
IUPAC Name	6-nitro-1,2-benzoxazole
InChI	InChI=1S/C7H4N2O3/c10-9(11)6-2-1-5-4-8-12-7(5)3-6/h1-4H
InChI Key	WIYPTBLUSSLGIV-UHFFFAOYSA-N
MDL Number	MFCD06659638
Molecular Formula	C7H4N2O3
Molecular Weight	164.1183
SMILES	O=[N+](C1=CC2=C(C=C1)C=NO2)[O-]
Synonyms	39835-08-0, 6-NITROBENZO[D]ISOXAZOLE, 6-Nitro-1,2-benzisoxazol, 6-NITRO-1,2-BENZISOXAZOLE, 6-nitro-1,2-benzoxazole, 6-Nitro-benzo[d]isoxazole, AK-50613, 1,2-Benzisoxazole, 6-nitro-, 6-Nitroindoxazine, CHEMBL84878, SCHEMBL2073279, CTK4I1961, DTXSID10659189, ANW-61256, FCH853207, MFCD06659638, ZINC26567330, AKOS006292346, AB25997, MP-1566, RP22675, ACM39835080, AC-27118, AJ-82608, CJ-17501, DS-15493, AX8028608, ST2419004, TC-150001, 4CH-012977, FT-0692923, Z4700, A824759, J-518948, C7H4N2O3,

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	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number