AG00DJ7C

51175-79-2 | Cyclobutanecarboxylic acid, 1-broMo-, Methyl ester

AG00DJ7C

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CAS Number	51175-79-2
Catalog Number	AG00DJ7C(AGN-PC-0JT525)
Chemical Name	Cyclobutanecarboxylic acid, 1-broMo-, Methyl ester
IUPAC Name	methyl 1-bromocyclobutane-1-carboxylate
InChI	InChI=1S/C6H9BrO2/c1-9-5(8)6(7)3-2-4-6/h2-4H2,1H3
InChI Key	KOKFKKDTWBKYTQ-UHFFFAOYSA-N
MDL Number	MFCD12922669
Molecular Formula	C6H9BrO2
Molecular Weight	193.0385
SMILES	COC(=O)C1(Br)CCC1
Synonyms	Methyl 1-bromocyclobutanecarboxylate, 51175-79-2, methyl 1-bromocyclobutane-1-carboxylate, 1-Bromocyclobutanecarboxylic acid methyl ester, KOKFKKDTWBKYTQ-UHFFFAOYSA-N, Cyclobutanecarboxylic acid, 1-bromo-, methyl ester, AC1LCD2A, SCHEMBL691739, CTK1G5300, DTXSID50341657, KS-00001AL1, MFCD12922669, ZINC32136454, AKOS006336457, Methyl 1-bromocyclobutanecarboxylate #, FS-5998, NE30047, AJ-84754, AK-67721, AM806083, CS-0037271, 1-bromo-cyclobutanecarboxylic acid methyl ester, 1-Bromocyclobutanecarboxylic acid, methyl ester, CID574698,

Complexity	129
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	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number