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188436-55-7 | 2-Buten-1-ol, 4-(2-bromo-4-nitrophenoxy)-, (2E)-
CAS No: 188436-55-7 Catalog No: AG002GW4 MDL No:
Product Description
Catalog Number:
AG002GW4
Chemical Name:
2-Buten-1-ol, 4-(2-bromo-4-nitrophenoxy)-, (2E)-
CAS Number:
188436-55-7
Molecular Formula:
C10H10BrNO4
Molecular Weight:
288.0947
IUPAC Name:
4-(2-bromo-4-nitrophenoxy)but-2-en-1-ol
InChI:
InChI=1S/C10H10BrNO4/c11-9-7-8(12(14)15)3-4-10(9)16-6-2-1-5-13/h1-4,7,13H,5-6H2
InChI Key:
LLECPJBCEFOSDT-UHFFFAOYSA-N
SMILES:
OC/C=C/COc1ccc(cc1Br)[N+](=O)[O-]
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.979g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.097g/mol
Monoisotopic Mass:
286.979g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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