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114179-45-2 | Acetic acid, bromonitro(phenylthio)-, ethyl ester, (R)- (9CI)
CAS No: 114179-45-2 Catalog No: AG000AQC MDL No:
Product Description
Catalog Number:
AG000AQC
Chemical Name:
Acetic acid, bromonitro(phenylthio)-, ethyl ester, (R)- (9CI)
CAS Number:
114179-45-2
Molecular Formula:
C10H10BrNO4S
Molecular Weight:
320.1597
IUPAC Name:
ethyl 2-bromo-2-nitro-2-phenylsulfanylacetate
InChI:
InChI=1S/C10H10BrNO4S/c1-2-16-9(13)10(11,12(14)15)17-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI Key:
URZNVDQRQAUXMN-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@@]([N+](=O)[O-])(Sc1ccccc1)Br
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.951g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.157g/mol
Monoisotopic Mass:
318.951g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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