AG00DENQ

5471-63-6 | 1,3-Diphenylisobenzofuran

AG00DENQ

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CAS Number	5471-63-6
Catalog Number	AG00DENQ(AGN-PC-0JKG0M)
Chemical Name	1,3-Diphenylisobenzofuran
EC Number	226-808-5
IUPAC Name	1,3-diphenyl-2-benzofuran
InChI	InChI=1S/C20H14O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14H
InChI Key	ZKSVYBRJSMBDMV-UHFFFAOYSA-N
MDL Number	MFCD00005931
Molecular Formula	C20H14O
Molecular Weight	270.3246
NSC Number	28407
SMILES	C1(=CC=CC=C1)C=1OC(=C2C=CC=CC12)C1=CC=CC=C1
UNII	OQ2CY31MDT
Synonyms	1,3-diphenylisobenzofuran, 1,3-DPBF, 1,3-DIPHENYLISOBENZOFURAN, 5471-63-6, Diphenylisobenzofuran, Isobenzofuran, 1,3-diphenyl-, 1,3-Diphenyl-2-benzofuran, 2,5-Diphenyl-3,4-benzofuran, UNII-OQ2CY31MDT, 1,3 Diphenylisobenzofuran, OQ2CY31MDT, 1,3-Diphenylbenzo[c]furan, 1,3-Diphenylisobenzofuran, 97%, ZKSVYBRJSMBDMV-UHFFFAOYSA-N, MFCD00005931, Q-102008, 1,3-di(phenyl)-2-benzofuran, EINECS 226-808-5, NSC 28407, AC1L2ISA, ACMC-209lj9, SCHEMBL297968, 1,3-Diphenyl-2-benzofuran #, 1,4-Diphenyl-2,3-benzofuran, CTK3J4981, DTXSID40203179, BCP28665, KS-00000UH0, NSC28407, ZINC1037072, ANW-32179, CD-806, NSC-28407, SBB056717, AKOS015914944, MCULE-5796368645, TRA0028276, AJ-24726, AK-61856, AS-30148, CC-03189, ZB015677, AX8001137, RT-002293, D1520, FT-0606716, ST24036818, ST50308066, X4437, K-9847, 471D636, C-16997, I14-7459, InChI=1/C20H14O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14, C20H14O, CID21649, C20-H14-O, ACN-026871, A7953, 5392-10-9, DIB,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	270.104g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	270.331g/mol
Monoisotopic Mass	270.104g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	13.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.6

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