AG00BECS

2234-45-9 | 2-(Benzyloxy)-6-bromonaphthalene

AG00BECS

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CAS Number	2234-45-9
Catalog Number	AG00BECS(AGN-PC-0JU7CF)
Chemical Name	2-(Benzyloxy)-6-bromonaphthalene
IUPAC Name	2-bromo-6-phenylmethoxynaphthalene
InChI	InChI=1S/C17H13BrO/c18-16-8-6-15-11-17(9-7-14(15)10-16)19-12-13-4-2-1-3-5-13/h1-11H,12H2
InChI Key	QVVBDTXZESAKDU-UHFFFAOYSA-N
MDL Number	MFCD01568856
Molecular Formula	C17H13BrO
Molecular Weight	313.1885
SMILES	BrC1=CC2=C(C=C1)C=C(OCC1=CC=CC=C1)C=C2
Synonyms	2-(benzyloxy)-6-bromonaphthalene, 2234-45-9, 2-Benzyloxy-6-bromonaphthalene, 2-bromo-6-phenylmethoxynaphthalene, ACMC-209fv3, AC1LD11L, 2-bromo-6-benzyloxynaphthalene, 6-benzyloxy-2-bromonaphthalene, SCHEMBL2636350, 2-benzyloxy-6-bromo-naphthalene, CTK4E9223, DTXSID70348769, QVVBDTXZESAKDU-UHFFFAOYSA-N, KS-00001SX3, ZINC1405395, ANW-24829, MFCD01568856, AKOS005080887, MCULE-5764644028, AJ-25702, naphthalene, 2-bromo-6-(phenylmethoxy)-, [(6-bromo-2-naphthyl)oxy](phenyl)methane, TR-036186, CS-0062545, ST24039560, Z0402, Q-7046, 12N-104, I14-25146, InChI=1/C17H13BrO/c18-16-8-6-15-11-17(9-7-14(15)10-16)19-12-13-4-2-1-3-5-13/h1-11H,12H, C17H13BrO, CID640595, ZINC01405395,

Complexity	274
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	312.015g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	313.194g/mol
Monoisotopic Mass	312.015g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.3

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

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