AG003RK4

3196-23-4 | Methyl 1-bromocyclohexanecarboxylate

AG003RK4

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CAS Number	3196-23-4
Catalog Number	AG003RK4(AGN-PC-0KVRQH)
Chemical Name	Methyl 1-bromocyclohexanecarboxylate
IUPAC Name	methyl 1-bromocyclohexane-1-carboxylate
InChI	InChI=1S/C8H13BrO2/c1-11-7(10)8(9)5-3-2-4-6-8/h2-6H2,1H3
InChI Key	RNWRVPVPLQMTAP-UHFFFAOYSA-N
MDL Number	MFCD00134214
Molecular Formula	C8H13BrO2
Molecular Weight	221.0916
SMILES	O=C(C1(Br)CCCCC1)OC
Synonyms	Methyl 1-bromocyclohexanecarboxylate, 3196-23-4, methyl 1-bromocyclohexane-1-carboxylate, ACMC-20akjh, AC1MRIJM, methyl 1-bromocyclohexanoate, SCHEMBL1604408, CTK4G7980, DTXSID60393248, RNWRVPVPLQMTAP-UHFFFAOYSA-N, ZINC155319, methyl 1-bromocyclohexane carboxylate, SBB057357, AKOS015913649, DS-6297, MCULE-1324398852, NE27924, AJ-13528, ZB006016, Methyl 1-bromocyclohexanecarboxylate, 97%, TC-166292, ST24030855, ST50997683, 1-Bromocyclohexanecarboxylic acid methyl ester, Cyclohexanecarboxylicacid, 1-bromo-, methyl ester, J-018578, I14-47072, Methyl1-bromocyclohexanecarboxylate, ZINC00155319, CID3518593,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.01g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	221.094g/mol
Monoisotopic Mass	220.01g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H335
Packing Group	Ⅱ
Precautionary statements	P261-P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

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