AG001Q8C

15848-22-3 | 1-Pentanol, 5-bromo-, 1-acetate

AG001Q8C

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CAS Number	15848-22-3
Catalog Number	AG001Q8C(AGN-PC-0O4IXI)
Chemical Name	1-Pentanol, 5-bromo-, 1-acetate
EC Number	239-961-8
IUPAC Name	5-bromopentyl acetate
InChI	InChI=1S/C7H13BrO2/c1-7(9)10-6-4-2-3-5-8/h2-6H2,1H3
InChI Key	JIHJLQWUVZUKCH-UHFFFAOYSA-N
MDL Number	MFCD00039204
Molecular Formula	C7H13BrO2
Molecular Weight	209.0809
SMILES	CC(OCCCCCBr)=O
Synonyms	5-Bromopentyl acetate, 15848-22-3, 5-Bromoamyl acetate, 5-Bromo-n-amyl acetate, 1-Acetoxy-5-bromopentane, Acetic Acid 5-Bromopentyl Ester, JIHJLQWUVZUKCH-UHFFFAOYSA-N, 1-Pentanol, 5-bromo-,1-acetate, MFCD00039204, 5-BROMOPENTYLACETATE, 1-Pentanol, 5-bromo-, 1-acetate, EINECS 239-961-8, 5-?Bromopentyl Acetate, ACMC-209dhw, AC1L38VC, AC1Q27WG, 5-bromo-1-pentanyl acetate, 5-Bromopentyl acetate, 96%, Acetic Acid 5-Bromoamyl Ester, SCHEMBL1005318, CTK4C9706, KS-00000ZFG, DTXSID80166431, ZINC2579109, ANW-21762, AKOS015916745, FCH1320039, AK167458, SY048649, DB-043389, TC-110507, A1195, FT-0620171, MFCD00039204 (95%), C-50881, J-009507, I14-51046, C7-H13-Br-O2, 1-Pentanol, 5-bromo-, acetate, CID85140, AR-1G7542, 16130-76-0,

Complexity	93.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.01g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	209.083g/mol
Monoisotopic Mass	208.01g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number