Home Bromides 100048-86-0
100048-86-0,MFCD18206921
Catalog No.:AA0000LO
Hexanoic acid, 2-(bromomethyl)-2-butyl- | 100048-86-0
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1g
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1 week  
$58.00
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Technical Information
Catalog Number:
AA0000LO
Chemical Name:
Hexanoic acid, 2-(bromomethyl)-2-butyl-
CAS Number:
100048-86-0
Molecular Formula:
C11H21BrO2
Molecular Weight:
265.1872
MDL Number:
MFCD18206921
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
SMILES:
CCCCC(C(=O)O)(CCCC)CBr
Properties
Computed Properties
 
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  

Synonyms
 
2-(Bromomethyl)-2-butylhexanoic acid 
100048-86-0 
3120AH 
MFCD18206921 
RW3954 
ZINC95080138 
AKOS016014253 
DS-6169 
QC-3234 
AC-30310 
Hexanoic acid, 2-(bromomethyl)-2-butyl- 
AJ-132034 
2-Bromomethyl-2-n-butyl hexanoic acid 
AX8228371 
C11H21BrO2 
AK129290 
2-(bromomethyl)-2-butyl-hexanoic acid 
SCHEMBL6843155 
DTXSID30733314 
BCP21154 
CS-M0234 
KS-00000PX7 
Literature
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