AG00CJGW

39503-58-7 | Methyl 5-bromo-2-methoxy-4-methylbenzoate

AG00CJGW

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CAS Number	39503-58-7
Catalog Number	AG00CJGW(AGN-PC-034V6L)
Chemical Name	Methyl 5-bromo-2-methoxy-4-methylbenzoate
IUPAC Name	methyl 5-bromo-2-methoxy-4-methylbenzoate
InChI	InChI=1S/C10H11BrO3/c1-6-4-9(13-2)7(5-8(6)11)10(12)14-3/h4-5H,1-3H3
InChI Key	DIQFMWHELJHNFZ-UHFFFAOYSA-N
MDL Number	MFCD11045603
Molecular Formula	C10H11BrO3
Molecular Weight	259.0965
SMILES	O=C(OC)C1=CC(Br)=C(C)C=C1OC
Synonyms	methyl 5-bromo-2-methoxy-4-methylbenzoate, 39503-58-7, Benzoic acid, 5-bromo-2-methoxy-4-methyl-, methyl ester, SCHEMBL166802, CTK8E2390, DTXSID70610332, DIQFMWHELJHNFZ-UHFFFAOYSA-N, MFCD11045603, ZINC39951729, AKOS015852283, ACN-051214, CS-W020495, DS-4726, AK133856, AJ-100813, DB-069822, TC-067058, FT-0654415, methyl 5-bromanyl-2-methoxy-4-methyl-benzoate, methyl 5-bromo-4-methyl-2-(methyloxy)benzoate, A824580, 5-bromo-2-methoxy-4-methylbenzoic acid methyl ester, I14-5152, 5-Bromo-2-methoxy-4-methyl-benzoic acid methyl ester, ACN-031338, METHYL5-BROMO-2-METHOXY-4-METHYLBENZOATE,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.989g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	259.099g/mol
Monoisotopic Mass	257.989g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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