AG00DBSC

432022-88-3 | 4-BROMO-3,5-DIMETHYL-BENZOIC ACID METHYL ESTER

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CAS Number	432022-88-3
Catalog Number	AG00DBSC(AGN-PC-04RZD9)
Chemical Name	4-BROMO-3,5-DIMETHYL-BENZOIC ACID METHYL ESTER
IUPAC Name	methyl 4-bromo-3,5-dimethylbenzoate
InChI	InChI=1S/C10H11BrO2/c1-6-4-8(10(12)13-3)5-7(2)9(6)11/h4-5H,1-3H3
InChI Key	TZQNPDBABLCTGL-UHFFFAOYSA-N
MDL Number	MFCD09833419
Molecular Formula	C10H11BrO2
Molecular Weight	243.0971
SMILES	O=C(OC)C1=CC(C)=C(Br)C(C)=C1
Synonyms	Methyl 4-bromo-3,5-dimethylbenzoate, 432022-88-3, 4-BROMO-3,5-DIMETHYL-BENZOIC ACID METHYL ESTER, 4-bromo-3,5-dimethylbenzoic acid methyl ester, Methyl4-bromo-3,5-dimethylbenzoate, AK136449, Benzoic acid, 4-bromo-3,5-dimethyl-, methyl ester, Methyl-4-bromo-3,5-dimethylbenzoate, PubChem13746, SCHEMBL15526472, DTXSID90647488, TZQNPDBABLCTGL-UHFFFAOYSA-N, KS-00000RO6, CM-792, MFCD09833419, ZINC21299320, AKOS022171783, CM12484, FCH1393838, methyl 4-bromanyl-3,5-dimethyl-benzoate, ACM432022883, AJ-78262, AS-19921, BC003795, BC222076, SC-53905, AX8258017, DB-070415, TL8003045, FT-0756508, Z1781, A826218, 4-BROMO-3,5-DIMETHYL-BENZOIC ACID METHYLESTER, C10H11BrO2, 4-BROMO-3,5-DIMETHYL-BENZOICACIDMETHYLESTER,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.994g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	243.1g/mol
Monoisotopic Mass	241.994g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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