AG0074TC

18761-31-4 | 5-nitrobenzofuran

AG0074TC

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CAS Number	18761-31-4
Catalog Number	AG0074TC(AGN-PC-0JTI1T)
Chemical Name	5-nitrobenzofuran
IUPAC Name	5-nitro-1-benzofuran
InChI	InChI=1S/C8H5NO3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H
InChI Key	LPMMCJSIUVQZFD-UHFFFAOYSA-N
MDL Number	MFCD00456542
Molecular Formula	C8H5NO3
Molecular Weight	163.1302
SMILES	O=[N+](C1=CC=C(OC=C2)C2=C1)[O-]
Synonyms	5-Nitrobenzofuran, 18761-31-4, 5-Nitro-1-benzofuran, Benzofuran, 5-nitro-, 5-nitrobenzo[b]furan, LPMMCJSIUVQZFD-UHFFFAOYSA-N, AK127625, AC1LC7UY, 5-Nitro-1-benzofuran #, SCHEMBL428529, CTK0H2229, KS-00000RBQ, DTXSID80344313, ZINC330627, CS-Z0028, FCH841179, MFCD00456542, SBB087671, AKOS006272236, AB06048, MCULE-9891127989, ACM18761314, AJ-19322, OR111026, TZ000766, AX8249416, DB-082597, FT-0721157, ST24044923, 4N-039, A813160, I14-33868, CID595897,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.027g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	163.132g/mol
Monoisotopic Mass	163.027g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	59A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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