AG00DB1K

52771-99-0 | 5-Nitro-1,3-dihydroisobenzofuran

AG00DB1K

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	52771-99-0
Catalog Number	AG00DB1K(AGN-PC-0NIZML)
Chemical Name	5-Nitro-1,3-dihydroisobenzofuran
IUPAC Name	5-nitro-1,3-dihydro-2-benzofuran
InChI	InChI=1S/C8H7NO3/c10-9(11)8-2-1-6-4-12-5-7(6)3-8/h1-3H,4-5H2
InChI Key	VZIBAMYIHSHADC-UHFFFAOYSA-N
MDL Number	MFCD09842489
Molecular Formula	C8H7NO3
Molecular Weight	165.1461
SMILES	O=[N+](C1=CC2=C(COC2)C=C1)[O-]
Synonyms	5-Nitro-1,3-dihydroisobenzofuran, 52771-99-0, 5-Nitro-1,3-dihydro-2-benzofuran, 5-nitro-1,3-dihydro-isobenzofuran, SCHEMBL3213966, CTK4J6472, DTXSID50498554, 1,3-Dihydro-5-nitro-isobenzofuran, KS-00001A6J, FCH874751, Isobenzofuran,1,3-dihydro-5-nitro-, MFCD09842489, ZINC44676091, 5-nitro-1,3-dihydroisobenzo[b]furan, AKOS006311085, Isobenzofuran, 1,3-dihydro-5-nitro-, WT82118, ACM52771990, AM806285, AN-40910, DB-071583, CS-0038795, FT-0083229, FT-0651328, 771D990,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	165.148g/mol
Monoisotopic Mass	165.043g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
UN Code

Certificate of Analysis

Lot Number