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40894-00-6 | 3-Bromo-2,2-dimethyl-1-propanol
CAS No: 40894-00-6 Catalog No: AG0033LR MDL No:MFCD00004683
Product Description
Catalog Number:
AG0033LR
Chemical Name:
3-Bromo-2,2-dimethyl-1-propanol
CAS Number:
40894-00-6
Molecular Formula:
C5H11BrO
Molecular Weight:
167.0442
MDL Number:
MFCD00004683
IUPAC Name:
3-bromo-2,2-dimethylpropan-1-ol
InChI:
InChI=1S/C5H11BrO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3
InChI Key:
KQOQXYPZBYTICM-UHFFFAOYSA-N
SMILES:
OCC(CBr)(C)C
NSC Number:
127921
Properties
Complexity:
52
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.999g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.046g/mol
Monoisotopic Mass:
165.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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