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39170-35-9 | 2-Bromo-1-[5-(4-nitro-phenyl)-furan-2-yl]-ethanone
CAS No: 39170-35-9 Catalog No: AG01EVSA MDL No:
Product Description
Catalog Number:
AG01EVSA
Chemical Name:
2-Bromo-1-[5-(4-nitro-phenyl)-furan-2-yl]-ethanone
CAS Number:
39170-35-9
Molecular Formula:
C12H8BrNO4
Molecular Weight:
310.1002
IUPAC Name:
2-bromo-1-[5-(4-nitrophenyl)furan-2-yl]ethanone
InChI:
InChI=1S/C12H8BrNO4/c13-7-10(15)12-6-5-11(18-12)8-1-3-9(4-2-8)14(16)17/h1-6H,7H2
InChI Key:
STSHVPKEOSBVPO-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(o1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.964g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.103g/mol
Monoisotopic Mass:
308.964g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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