AG002JZJ

20896-23-5 | Methyl 3,4-Bis(Bromomethyl)Benzoate

AG002JZJ

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CAS Number	20896-23-5
Catalog Number	AG002JZJ(AGN-PC-0KK836)
Chemical Name	Methyl 3,4-Bis(Bromomethyl)Benzoate
IUPAC Name	methyl 3,4-bis(bromomethyl)benzoate
InChI	InChI=1S/C10H10Br2O2/c1-14-10(13)7-2-3-8(5-11)9(4-7)6-12/h2-4H,5-6H2,1H3
InChI Key	PZOQMRZOUBBQFO-UHFFFAOYSA-N
MDL Number	MFCD00219865
Molecular Formula	C10H10Br2O2
Molecular Weight	321.9932
SMILES	O=C(OC)C1=CC=C(CBr)C(CBr)=C1
Synonyms	methyl 3,4-bis(bromomethyl)benzoate, 20896-23-5, Benzoic acid, 3,4-bis(bromomethyl)-, methyl ester, methyl 3,4-bis-(bromomethyl)benzoate, AC1MC6CX, SCHEMBL1028046, CTK4E5409, DTXSID40371625, PZOQMRZOUBBQFO-UHFFFAOYSA-N, KS-000019KN, ZINC2559210, ZX-AT001958, 0683AB, MFCD00219865, OR3934, AKOS002254645, MCULE-5539424421, PS-9916, QC-9836, ACM20896235, AK116842, AM803495, SC-22244, AB0097941, AX8138484, CS-0037224, FT-0754219, ST50210555, 3,4-bis(bromomethyl)benzoic acid methyl ester, 3,4-bis-bromomethyl-benzoic acid methyl ester, A815008, C10H10Br2O2, ZINC02559210, CID2736819, METHYL3,4-BIS(BROMOMETHYL)BENZOATE,

Complexity	197
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	321.903g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	321.996g/mol
Monoisotopic Mass	319.905g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number