AG002VSA

28598-81-4 | Nonanoic acid, 9-bromo-, ethyl ester

AG002VSA

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CAS Number	28598-81-4
Catalog Number	AG002VSA(AGN-PC-0JSWCC)
Chemical Name	Nonanoic acid, 9-bromo-, ethyl ester
EC Number	926-337-1
IUPAC Name	ethyl 9-bromononanoate
InChI	InChI=1S/C11H21BrO2/c1-2-14-11(13)9-7-5-3-4-6-8-10-12/h2-10H2,1H3
InChI Key	KXZBPLOPBKIUTC-UHFFFAOYSA-N
MDL Number	MFCD06797065
Molecular Formula	C11H21BrO2
Molecular Weight	265.1872
SMILES	O=C(OCC)CCCCCCCCBr
Synonyms	Ethyl 9-bromononanoate, 28598-81-4, Nonanoic acid, 9-bromo-, ethyl ester, Ethyl9-bromononanoate, 9-Bromononanoic Acid Ethyl Ester, KXZBPLOPBKIUTC-UHFFFAOYSA-N, 9-Bromononanoic acid, ethyl ester, AC1LBM3E, ethyl 9-bromanylnonanoate, Ethyl 9-bromononanoate #, ACMC-209h3j, AC1Q27V4, SCHEMBL1005765, CTK4G1755, KS-000014BG, ANW-26429, MFCD06797065, Nonanoic acid,9-bromo-, ethyl ester, ZINC44082628, AKOS022184013, VZ32170, CC-28092, SC-41502, AJ-109154, DB-047418, TC-115174, B2324, FT-0080528, FT-0638788, A819505, C-16593, I14-63288, AR-1I9610, CID560317, 2881-62-1,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.072g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	265.191g/mol
Monoisotopic Mass	264.072g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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