AG0000OG

100048-86-0 | Hexanoic acid, 2-(bromomethyl)-2-butyl-

AG0000OG

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CAS Number	100048-86-0
Catalog Number	AG0000OG(AGN-PC-0WAKQV)
Chemical Name	Hexanoic acid, 2-(bromomethyl)-2-butyl-
IUPAC Name	2-(bromomethyl)-2-butylhexanoic acid
InChI	InChI=1S/C11H21BrO2/c1-3-5-7-11(9-12,10(13)14)8-6-4-2/h3-9H2,1-2H3,(H,13,14)
InChI Key	OBRLODQYQTZCSP-UHFFFAOYSA-N
MDL Number	MFCD18206921
Molecular Formula	C11H21BrO2
Molecular Weight	265.1872
SMILES	BrCC(C(=O)O)(CCCC)CCCC
Synonyms	2-(Bromomethyl)-2-butylhexanoic acid, 100048-86-0, 2-Bromomethyl-2-n-butyl hexanoic acid, AK129290, 2-(bromomethyl)-2-butyl-hexanoic acid, SCHEMBL6843155, DTXSID30733314, BCP21154, CS-M0234, KS-00000PX7, 3120AH, MFCD18206921, RW3954, ZINC95080138, AKOS016014253, DS-6169, QC-3234, AC-30310, Hexanoic acid, 2-(bromomethyl)-2-butyl-, AJ-132034, AX8228371, C11H21BrO2,

Complexity	161
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	1
Isotope Atom Count	0
Molecular Weight	265.191g/mol
Monoisotopic Mass	264.072g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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