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251100-37-5 | 1,2-Hexanediol, 6-bromo-
CAS No: 251100-37-5 Catalog No: AG002QIG MDL No:
Product Description
Catalog Number:
AG002QIG
Chemical Name:
1,2-Hexanediol, 6-bromo-
CAS Number:
251100-37-5
Molecular Formula:
C6H13BrO2
Molecular Weight:
197.0702
IUPAC Name:
6-bromohexane-1,2-diol
InChI:
InChI=1S/C6H13BrO2/c7-4-2-1-3-6(9)5-8/h6,8-9H,1-5H2
InChI Key:
LPVGZZSFMIEXDY-UHFFFAOYSA-N
SMILES:
BrCCCCC(CO)O
Properties
Complexity:
59
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.01g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.072g/mol
Monoisotopic Mass:
196.01g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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