AG000VTH

1312610-07-3 | 1,3-Benzodioxole-4-carboxylic acid, 7-bromo-, ethyl ester

AG000VTH

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CAS Number	1312610-07-3
Catalog Number	AG000VTH(AGN-PC-0WANF5)
Chemical Name	1,3-Benzodioxole-4-carboxylic acid, 7-bromo-, ethyl ester
IUPAC Name	ethyl 7-bromo-1,3-benzodioxole-4-carboxylate
InChI	InChI=1S/C10H9BrO4/c1-2-13-10(12)6-3-4-7(11)9-8(6)14-5-15-9/h3-4H,2,5H2,1H3
InChI Key	RMOIBSUSLJZWAM-UHFFFAOYSA-N
MDL Number	MFCD20487962
Molecular Formula	C10H9BrO4
Molecular Weight	273.0801
SMILES	O=C(C1=C2OCOC2=C(Br)C=C1)OCC
Synonyms	Ethyl 7-bromobenzo[d][1,3]dioxole-4-carboxylate, 1312610-07-3, AK161678, SCHEMBL12565876, KS-00000SJT, MFCD20487962, ZINC98181783, AKOS024462666, DS-7361, AJ-142888, EN300-193292, 1,3-Benzodioxole-4-carboxylic acid, 7-bromo-, ethyl ester,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	271.968g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	273.082g/mol
Monoisotopic Mass	271.968g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	44.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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