AG0034U9

615-96-3 | Ethyl 2-bromohexanoate

AG0034U9

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CAS Number	615-96-3
Catalog Number	AG0034U9(AGN-PC-0JLRRR)
Chemical Name	Ethyl 2-bromohexanoate
EC Number	210-455-9
IUPAC Name	ethyl 2-bromohexanoate
InChI	InChI=1S/C8H15BrO2/c1-3-5-6-7(9)8(10)11-4-2/h7H,3-6H2,1-2H3
InChI Key	KOUAQOCYMAENKN-UHFFFAOYSA-N
MDL Number	MFCD00000162
Molecular Formula	C8H15BrO2
Molecular Weight	223.1075
NSC Number	8879
SMILES	CCCCC(Br)C(OCC)=O
Synonyms	Ethyl 2-bromohexanoate, 615-96-3, Ethyl 2-bromocaproate, 2-Bromohexanoic acid ethyl ester, Ethyl alpha-bromocaproate, Hexanoic acid, 2-bromo-, ethyl ester, Ethyl 2-bromocapronate, .alpha.-Bromocaproic acid, ethyl ester, Ethyl .alpha.-bromocaproate, KOUAQOCYMAENKN-UHFFFAOYSA-N, MFCD00000162, W-105124, alpha-Bromocaproic acid, ethyl ester, ethyl bromohexanoate, NSC 8879, EINECS 210-455-9, Ethyl2-bromohexanoate, Ethylalpha-bromocaproate, ACMC-20mr1e, ACMC-1BEHU, ethyl 2-bromo,hexanoate, AC1L2WLG, 2-Bromohexanoic acid ethyl, AC1Q2V7T, WLN: 4YEVO2, ETHYL-alpha-BROMOCAPROATE, SCHEMBL729131, Ethyl 2-bromohexanoate, 99%, AC1Q245K, CTK3J0045, KOUAQOCYMAENKN-UHFFFAOYSA-, NSC8879, alpha-bromocaproic acid ethyl ester, KS-000010WP, NSC-8879, SBB070817, AKOS015833852, RTR-021212, TRA0068614, AN-46582, CC-28103, U037, AX8010732, DB-053939, TR-021212, FT-0625936, ST24046848, C-12492, I14-1290, InChI=1/C8H15BrO2/c1-3-5-6-7(9)8(10)11-4-2/h7H,3-6H2,1-2H3, C8H15BrO2, UNII-3Y8V12H8PL, Hexanoic acid, ethyl ester, 3Y8V12H8PL, C8-H15-Br-O2, CID79072, AR-1I8333, Ethyl 2-bromohexanoate, 99% - 25G 25g, Hexanoic acid, 2-bromo-, ethyl ester, (R)-, 124439-30-1, 7176-19-4,

Complexity	115
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.026g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	223.11g/mol
Monoisotopic Mass	222.026g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

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