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Home > Bromides > 920007-14-3

920007-14-3

920007-14-3 | 3-Hexanol, 6-bromo-

CAS No: 920007-14-3 Catalog No: AG006G6B MDL No:

Product Description

Catalog Number:
AG006G6B
Chemical Name:
3-Hexanol, 6-bromo-
CAS Number:
920007-14-3
Molecular Formula:
C6H13BrO
Molecular Weight:
181.0708
IUPAC Name:
6-bromohexan-3-ol
InChI:
InChI=1S/C6H13BrO/c1-2-6(8)4-3-5-7/h6,8H,2-5H2,1H3
InChI Key:
STIODKHHDQTPHD-UHFFFAOYSA-N
SMILES:
BrCCCC(CC)O

Properties

Complexity:
47.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.015g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.073g/mol
Monoisotopic Mass:
180.015g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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