AG000JIP

1228095-06-4 | Methyl 2-benzyloxy-4-bromobenzoate

AG000JIP

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CAS Number	1228095-06-4
Catalog Number	AG000JIP(AGN-PC-0WADRQ)
Chemical Name	Methyl 2-benzyloxy-4-bromobenzoate
IUPAC Name	methyl 4-bromo-2-phenylmethoxybenzoate
InChI	InChI=1S/C15H13BrO3/c1-18-15(17)13-8-7-12(16)9-14(13)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChI Key	SNTOIDUPMITSEP-UHFFFAOYSA-N
MDL Number	MFCD18311879
Molecular Formula	C15H13BrO3
Molecular Weight	321.1659
SMILES	O=C(OC)C1=CC=C(Br)C=C1OCC2=CC=CC=C2
Synonyms	1228095-06-4, Methyl 2-(benzyloxy)-4-bromobenzoate, METHYL 2-BENZYLOXY-4-BROMOBENZOATE, ACMC-209amr, SCHEMBL14891403, CTK4B3272, DTXSID20682180, ANW-18049, MFCD18311879, ZINC65337425, AKOS015839422, AK107556, AJ-115145, AX8242894, TR-034978, Z8665, B-3493, I01-11378, Benzoic acid, 4-bromo-2-(phenylmethoxy)-, methyl ester, C15H13BrO3, Methyl2-(benzyloxy)-4-bromobenzoate,

Complexity	289
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	320.005g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	321.17g/mol
Monoisotopic Mass	320.005g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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