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84208-33-3 | Propanoic acid, 2-bromo-2-methyl-, (4-nitrophenyl)methyl ester
CAS No: 84208-33-3 Catalog No: AG004ORS MDL No:
Product Description
Catalog Number:
AG004ORS
Chemical Name:
Propanoic acid, 2-bromo-2-methyl-, (4-nitrophenyl)methyl ester
CAS Number:
84208-33-3
Molecular Formula:
C11H12BrNO4
Molecular Weight:
302.1213
IUPAC Name:
(4-nitrophenyl)methyl 2-bromo-2-methylpropanoate
InChI:
InChI=1S/C11H12BrNO4/c1-11(2,12)10(14)17-7-8-3-5-9(6-4-8)13(15)16/h3-6H,7H2,1-2H3
InChI Key:
PWQRRDRMTKNUMF-UHFFFAOYSA-N
SMILES:
O=C(C(Br)(C)C)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.995g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.124g/mol
Monoisotopic Mass:
300.995g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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