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88476-64-6 | Carbonochloridic acid, 1-(bromomethyl)-1-ethylpropyl ester
CAS No: 88476-64-6 Catalog No: AG004AFW MDL No:
Product Description
Catalog Number:
AG004AFW
Chemical Name:
Carbonochloridic acid, 1-(bromomethyl)-1-ethylpropyl ester
CAS Number:
88476-64-6
Molecular Formula:
C7H12BrClO2
Molecular Weight:
243.5260
IUPAC Name:
3-(bromomethyl)pentan-3-yl carbonochloridate
InChI:
InChI=1S/C7H12BrClO2/c1-3-7(4-2,5-8)11-6(9)10/h3-5H2,1-2H3
InChI Key:
QIWQCNZYQYCBPX-UHFFFAOYSA-N
SMILES:
CCC(OC(=O)Cl)(CBr)CC
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.971g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.525g/mol
Monoisotopic Mass:
241.971g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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