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158894-67-8 | 1-Propanol, 1-bromo-2-methyl-, 1-propanoate
CAS No: 158894-67-8 Catalog No: AG001QZP MDL No:
Product Description
Catalog Number:
AG001QZP
Chemical Name:
1-Propanol, 1-bromo-2-methyl-, 1-propanoate
CAS Number:
158894-67-8
Molecular Formula:
C7H13BrO2
Molecular Weight:
209.0809
IUPAC Name:
(1-bromo-2-methylpropyl) propanoate
InChI:
InChI=1S/C7H13BrO2/c1-4-6(9)10-7(8)5(2)3/h5,7H,4H2,1-3H3
InChI Key:
BGWYAZUHYJKMEJ-UHFFFAOYSA-N
SMILES:
CCC(=O)OC(C(C)C)Br
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.01g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.083g/mol
Monoisotopic Mass:
208.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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