AG00DLBQ

4935-00-6 | Methyl 3-bromocyclobutane-1-carboxylate

AG00DLBQ

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CAS Number	4935-00-6
Catalog Number	AG00DLBQ(AGN-PC-0JD5JB)
Chemical Name	Methyl 3-bromocyclobutane-1-carboxylate
IUPAC Name	methyl 3-bromocyclobutane-1-carboxylate
InChI	InChI=1S/C6H9BrO2/c1-9-6(8)4-2-5(7)3-4/h4-5H,2-3H2,1H3
InChI Key	PXUHGFNZFJXRFN-UHFFFAOYSA-N
MDL Number	MFCD20625735
Molecular Formula	C6H9BrO2
Molecular Weight	193.0385
SMILES	COC(=O)C1CC(C1)Br
Synonyms	methyl 3-bromocyclobutane-1-carboxylate, 4935-00-6, 1523618-35-0, methyl trans-3-bromocyclobutane-1-carboxylate, trans-Methyl 3-bromocyclobutanecarboxylate, Methyl 3-bromocyclobutanecarboxylate, Methyl cis-3-bromocyclobutane-1-carboxylate, Cyclobutanecarboxylic acid, 3-bromo-, methyl ester, 1638771-96-6, 3-Brom-cyclobutan-carbonsaeure-methylester, AMCB00080, CTK1C6896, DTXSID80785181, KS-000004LA, KS-000004LJ, MFCD20625735, MFCD27987093, AKOS025290993, AKOS025290994, AKOS027336907, ZINC169795892, ZINC242620196, AM85789, SB12039, SB12059, SB12060, AS-34051, AS-34054, methylcis-3-bromocyclobutane-1-carboxylate, CS-0048877, CS-0049107, CS-0055633, Methyl trans-3-bromocyclobutane-1-carboxylate, AldrichCPR, 7-Methylimidazo[1,2-a]pyrimidin-5-ol, 1091729-93-9,

Complexity	118
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.979g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	193.04g/mol
Monoisotopic Mass	191.979g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number