AG00357Y

5454-83-1 | methyl 5-bromopentanoate

AG00357Y

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CAS Number	5454-83-1
Catalog Number	AG00357Y(AGN-PC-0CA56I)
Chemical Name	methyl 5-bromopentanoate
EC Number	226-709-7
IUPAC Name	methyl 5-bromopentanoate
InChI	InChI=1S/C6H11BrO2/c1-9-6(8)4-2-3-5-7/h2-5H2,1H3
InChI Key	RAVVJKCSZXAIQP-UHFFFAOYSA-N
MDL Number	MFCD00000265
Molecular Formula	C6H11BrO2
Molecular Weight	195.0543
NSC Number	23228
SMILES	O=C(OC)CCCCBr
Synonyms	Methyl 5-bromovalerate, Methyl 5-bromopentanoate, 5454-83-1, 5-Bromovaleric acid methyl ester, Pentanoic acid, 5-bromo-, methyl ester, 5-bromopentanoic acid methyl ester, MFCD00000265, Methyl .omega.-bromopentanoate, Methyl 5-bromovalerate, 97%, RAVVJKCSZXAIQP-UHFFFAOYSA-N, 5-bromo-pentanoic acid methyl ester, methyl-5-bromovalerate, Methyl omega-bromopentanoate, EINECS 226-709-7, NSC 23228, Methyl5-Bromovalerate, Valeric acid, 5-bromo-, methyl ester, methyl 5-bromo-valerate, Methyl ?-bromopentanoate, methyl 5-bromo-pentanoate, AC1L2XN3, AC1Q27UG, Br(CH2)4C(O)OCH3, METHY 5-BROMOVALERATE, SCHEMBL207773, AC1Q442W, DTXSID4063907, CTK1H2695, KS-00000BKS, RAVVJKCSZXAIQP-UHFFFAOYSA-, NSC23228, ZINC1602489, ANW-32110, NSC-23228, SBB070759, AKOS009015422, ACN-050982, CS-W022866, CZJT-5454-83-1, RTC-062254, AJ-28021, AK-88540, AS-15624, Q077, SC-66180, SY013898, AB1007177, DB-000685, TC-062254, AM20120637, FT-0620183, M2265, ST24031134, MFCD00000265 (97%), Valeric acid, 5-bromo-, methyl ester (8CI), K-9827, S14-1131, InChI=1/C6H11BrO2/c1-9-6(8)4-2-3-5-7/h2-5H2,1H3, null, Valeric acid, methyl ester, C6H11BrO2, Pentanoic acid, methyl ester, C6-H11-Br-O2, CID79557, AR-1J5542, Methyl 5-bromovalerate, 97% - 25G 25g, Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone, 5626-64-2,

Complexity	83.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.994g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	195.056g/mol
Monoisotopic Mass	193.994g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number