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181134-65-6 | 1-Propanol, 3-bromo-2-(bromomethyl)-2-methyl-, 1-acetate
CAS No: 181134-65-6 Catalog No: AG0022PZ MDL No:
Product Description
Catalog Number:
AG0022PZ
Chemical Name:
1-Propanol, 3-bromo-2-(bromomethyl)-2-methyl-, 1-acetate
CAS Number:
181134-65-6
Molecular Formula:
C7H12Br2O2
Molecular Weight:
287.9770
IUPAC Name:
acetic acid;3-bromo-2-(bromomethyl)-2-methylpropan-1-ol
InChI:
InChI=1S/C5H10Br2O.C2H4O2/c1-5(2-6,3-7)4-8;1-2(3)4/h8H,2-4H2,1H3;1H3,(H,3,4)
InChI Key:
QPQSTDANMGCMLT-UHFFFAOYSA-N
SMILES:
BrCC(COC(=O)C)(CBr)C
Properties
Complexity:
92.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.929g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.994g/mol
Monoisotopic Mass:
303.931g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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