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1005-63-6 | Benzenamine, 4-(ethenyloxy)-
CAS No: 1005-63-6 Catalog No: AG00025H MDL No:MFCD02065040
Product Description
Catalog Number:
AG00025H
Chemical Name:
Benzenamine, 4-(ethenyloxy)-
CAS Number:
1005-63-6
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
MDL Number:
MFCD02065040
IUPAC Name:
4-ethenoxyaniline
InChI:
InChI=1S/C8H9NO/c1-2-10-8-5-3-7(9)4-6-8/h2-6H,1,9H2
InChI Key:
QCTFMVJQPRXEII-UHFFFAOYSA-N
SMILES:
C=COc1ccc(cc1)N
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.166g/mol
Monoisotopic Mass:
135.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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