AG0036GC

79670-17-0 | methyl 5-bromo-2-(bromomethyl)benzoate

AG0036GC

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CAS Number	79670-17-0
Catalog Number	AG0036GC(AGN-PC-00K4TJ)
Chemical Name	methyl 5-bromo-2-(bromomethyl)benzoate
IUPAC Name	methyl 5-bromo-2-(bromomethyl)benzoate
InChI	InChI=1S/C9H8Br2O2/c1-13-9(12)8-4-7(11)3-2-6(8)5-10/h2-4H,5H2,1H3
InChI Key	UVIJBFVFEGZZLQ-UHFFFAOYSA-N
MDL Number	MFCD11505949
Molecular Formula	C9H8Br2O2
Molecular Weight	307.9666
SMILES	BrC=1C=CC(=C(C(=O)OC)C1)CBr
Synonyms	Methyl 5-bromo-2-(bromomethyl)benzoate, 79670-17-0, 5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER, 5-Bromo-2-bromomethylbenzoic acid methyl ester, Benzoic acid, 5-bromo-2-(bromomethyl)-, methyl ester, SCHEMBL391759, CTK2G3953, DTXSID80513209, UVIJBFVFEGZZLQ-UHFFFAOYSA-N, 2445AC, ANW-57269, BBL104028, Methyl 2-bromomethyl-5-bromobenzoate, methyl 5-bromo-2-bromomethylbenzoate, MFCD11505949, STL557842, ZINC39342710, methyl 4-bromo-alpha-bromo-2-toluate, AKOS016001498, AB64112, methyl 4-bromo-alpha-bromo- 2-toluate, AJ-99929, AK-40798, AS-41912, SC-14714, SY108147, DB-075606, TC-146014, FT-0743223, ST24031128, MFCD11505949 (95%), Z-5151, C9H8Br2O2, Methyl5-bromo-2-(bromomethyl)benzoate, 5-BROMO-2-BROMOMETHYL-BENZOICACIDMETHYLESTER,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	307.887g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	307.969g/mol
Monoisotopic Mass	305.889g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P280-P305+P351+P338-P310
UN Code	\N

Certificate of Analysis

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