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82477-46-1

82477-46-1 | Propanedioic acid, (bromodifluoromethyl)methyl-, diethyl ester

CAS No: 82477-46-1 Catalog No: AG004VL5 MDL No:

Product Description

Catalog Number:
AG004VL5
Chemical Name:
Propanedioic acid, (bromodifluoromethyl)methyl-, diethyl ester
CAS Number:
82477-46-1
Molecular Formula:
C9H13BrF2O4
Molecular Weight:
303.0979
IUPAC Name:
diethyl 2-[bromo(difluoro)methyl]-2-methylpropanedioate
InChI:
InChI=1S/C9H13BrF2O4/c1-4-15-6(13)8(3,9(10,11)12)7(14)16-5-2/h4-5H2,1-3H3
InChI Key:
RHGJJSXLUXQWED-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(Br)(F)F)(C(=O)OCC)C

Properties

Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.997g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.1g/mol
Monoisotopic Mass:
301.997g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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