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64135-07-5 | Isopropyl 6-bromohexanoate
CAS No: 64135-07-5 Catalog No: AG01FFHD MDL No:
Product Description
Catalog Number:
AG01FFHD
Chemical Name:
Isopropyl 6-bromohexanoate
CAS Number:
64135-07-5
Molecular Formula:
C9H17BrO2
Molecular Weight:
237.1341
IUPAC Name:
propan-2-yl 6-bromohexanoate
InChI:
InChI=1S/C9H17BrO2/c1-8(2)12-9(11)6-4-3-5-7-10/h8H,3-7H2,1-2H3
InChI Key:
ZCNHDLQYRACYQR-UHFFFAOYSA-N
SMILES:
BrCCCCCC(=O)OC(C)C
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.137g/mol
Monoisotopic Mass:
236.041g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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