AG00CLMS

33842-18-1 | Methyl 6-bromobenzo[d][1,3]dioxole-4-carboxylate

AG00CLMS

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CAS Number	33842-18-1
Catalog Number	AG00CLMS(AGN-PC-0JF3YS)
Chemical Name	Methyl 6-bromobenzo[d][1,3]dioxole-4-carboxylate
IUPAC Name	methyl 6-bromo-1,3-benzodioxole-4-carboxylate
InChI	InChI=1S/C9H7BrO4/c1-12-9(11)6-2-5(10)3-7-8(6)14-4-13-7/h2-3H,4H2,1H3
InChI Key	LCYYWZCNOLIBQE-UHFFFAOYSA-N
MDL Number	MFCD23701705
Molecular Formula	C9H7BrO4
Molecular Weight	259.0535
SMILES	O=C(C1=C2OCOC2=CC(Br)=C1)OC
Synonyms	Methyl 6-bromobenzo[d][1,3]dioxole-4-carboxylate, 33842-18-1, AK120007, Methyl 6-bromo-2H-1,3-benzodioxole-4-carboxylate, methyl 6-bromo-1,3-benzodioxole-4-carboxylate, SCHEMBL16397007, DTXSID70855807, LCYYWZCNOLIBQE-UHFFFAOYSA-N, MFCD23701705, ZINC91297230, AKOS016011024, DS-2830, FCH2329331, MP-1922, KS-00000R34, AJ-129334, AX8245423, ST2419606, 4CH-012343, Z4615, C9H7BrO4, Methyl6-bromobenzo[d][1,3]dioxole-4-carboxylate,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.953g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	259.055g/mol
Monoisotopic Mass	257.953g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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