AG0014D9

1331776-42-1 | Cyclohexanecarboxylic acid, 4-(bromomethyl)-, methyl ester

AG0014D9

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CAS Number	1331776-42-1
Catalog Number	AG0014D9(AGN-PC-0WAMIP)
Chemical Name	Cyclohexanecarboxylic acid, 4-(bromomethyl)-, methyl ester
IUPAC Name	methyl 4-(bromomethyl)cyclohexane-1-carboxylate
InChI	InChI=1S/C9H15BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h7-8H,2-6H2,1H3
InChI Key	BXJXDCCSZTVLTR-UHFFFAOYSA-N
MDL Number	MFCD29921565
Molecular Formula	C9H15BrO2
Molecular Weight	235.1182
SMILES	O=C(C1CCC(CBr)CC1)OC
Synonyms	Methyl 4-(bromomethyl)cyclohexanecarboxylate, 1331776-42-1, SCHEMBL2348997, SCHEMBL6616808, MFCD29921565, ZINC78198916, AKOS027336371, AK337856, DS-12541, CS-0041732, methyl 4-(bromomethyl)cyclohexane-1-carboxylate, Cyclohexanecarboxylic acid, 4-(bromomethyl)-, methyl ester, trans-methyl 4-(bromomethyl)cyclohexanecarboxylate, 167833-10-5,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.026g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	235.121g/mol
Monoisotopic Mass	234.026g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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