AG00CJDQ

42268-88-2 | DiMethyl 5-BroMoMethyl-1,3-Benzene-Dicarboxylate

AG00CJDQ

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CAS Number	42268-88-2
Catalog Number	AG00CJDQ
Chemical Name	DiMethyl 5-BroMoMethyl-1,3-Benzene-Dicarboxylate
IUPAC Name	dimethyl 5-(bromomethyl)benzene-1,3-dicarboxylate
InChI	InChI=1S/C11H11BrO4/c1-15-10(13)8-3-7(6-12)4-9(5-8)11(14)16-2/h3-5H,6H2,1-2H3
InChI Key	SVXVCUVXGMLDJC-UHFFFAOYSA-N
MDL Number	MFCD22578671
Molecular Formula	C11H11BrO4
Molecular Weight	287.1066
SMILES	BrCC=1C=C(C=C(C(=O)OC)C1)C(=O)OC
Synonyms	Dimethyl 5-(bromomethyl)isophthalate, 42268-88-2, 1,3-dimethyl 5-(bromomethyl)benzene-1,3-dicarboxylate, SCHEMBL4652534, SVXVCUVXGMLDJC-UHFFFAOYSA-N, MFCD22578671, ZINC83255337, AKOS027339461, NE16999, AS-43138, 5-Bromomethylisophthalic acid dimethyl ester, 5-Bromomethyl-isophthalic acid dimethyl ester, CS-0061830, 5-(Bromomethyl)isophthalic acid dimethyl ester, dimethyl 5-(bromomethyl)benzene-1,3-dicarboxylate, DiMethyl 5-BroMoMethyl-1,3-Benzene-Dicarboxylate,

Complexity	243
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	285.984g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	287.109g/mol
Monoisotopic Mass	285.984g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H314
Packing Group	Ⅲ
Precautionary statements	P260-P264-P270-P280-P301+P312-P301+P330+P331-P305+P351+P338-P310-P321-P330-P363-P405-P501
UN Code	UN 1759

Certificate of Analysis

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