AG00IBDP

6451-86-1 | Benzaldehyde, 2-bromo-4-methoxy-5-(phenylmethoxy)-

AG00IBDP

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CAS Number	6451-86-1
Catalog Number	AG00IBDP(AGN-PC-0NCJOX)
Chemical Name	Benzaldehyde, 2-bromo-4-methoxy-5-(phenylmethoxy)-
IUPAC Name	2-bromo-4-methoxy-5-phenylmethoxybenzaldehyde
InChI	InChI=1S/C15H13BrO3/c1-18-14-8-13(16)12(9-17)7-15(14)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChI Key	RUBXMEDWBCBLEZ-UHFFFAOYSA-N
MDL Number	MFCD00666893
Molecular Formula	C15H13BrO3
Molecular Weight	321.1659
SMILES	O=CC1=CC(OCC2=CC=CC=C2)=C(OC)C=C1Br
Synonyms	6451-86-1, 5-Benzyloxy-2-bromo-4-methoxybenzaldehyde, 2-bromo-4-methoxy-5-(benzyloxy)benzaldehyde, 5-(benzyloxy)-2-bromo-4-methoxybenzaldehyde, 6-Bromobenzyl isovanillin, 2-BROMO-4-METHOXY-5-BENZYLOXYBENZALDEHYDE, Benzaldehyde, 2-bromo-4-methoxy-5-(phenylmethoxy)-, 5-benzyloxy-2-bromo-4-methoxy-benzaldehyde, 2-bromo-4-methoxy-5-(phenylmethoxy)benzaldehyde, Benzaldehyde,2-bromo-4-methoxy-5-(phenylmethoxy)-, PubChem14831, KSC621G5P, SCHEMBL1318429, CTK5C1357, KS-00000MNA, DTXSID60447831, RUBXMEDWBCBLEZ-UHFFFAOYSA-N, ACT00713, ZINC2567215, ANW-47519, MFCD00666893, SBB063768, AKOS015889657, AB06713, CB-2090, AC-14432, AJ-41365, AK-30087, BC003943, BR-30087, CJ-09774, DS-11718, Q464, SC-58296, AB0017599, AB1005567, ST2411729, TC-136264, FT-0602479, 2-bromo-4-methoxy-5-phenylmethoxybenzaldehyde, S-6302, 3-BENZYLOXY-4-METHOXY-6-BROMOBENZALDEHYE, 2-bromanyl-4-methoxy-5-phenylmethoxy-benzaldehyde, 451B861, A834796, AN-652/43285749, A1-00586, I01-2824, 2-bromo-4-methoxy-5-(benzyloxy)benzaldehyde, AldrichCPR, 5-Benzyl-2-bromo-4-methoxylbenzaldehyde; 2-Bromo-4-methoxy-5-(benzyloxy)benzaldehyde; 6-Bromobenzyl isovanillin, C15H13BrO3, CID10903319, 2-bromo-4-methoxy-5-phenylmethoxy-benzaldehyde,

Complexity	279
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	3.5

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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