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175205-14-8 | Benzene, 4-bromo-1-methoxy-2-(2-nitroethenyl)-
CAS No: 175205-14-8 Catalog No: AG0020N9 MDL No:MFCD00068087
Product Description
Catalog Number:
AG0020N9
Chemical Name:
Benzene, 4-bromo-1-methoxy-2-(2-nitroethenyl)-
CAS Number:
175205-14-8
Molecular Formula:
C9H8BrNO3
Molecular Weight:
258.0687
MDL Number:
MFCD00068087
IUPAC Name:
4-bromo-1-methoxy-2-[(E)-2-nitroethenyl]benzene
InChI:
InChI=1S/C9H8BrNO3/c1-14-9-3-2-8(10)6-7(9)4-5-11(12)13/h2-6H,1H3/b5-4+
InChI Key:
IAHCHTBHTXVKTC-SNAWJCMRSA-N
SMILES:
[O-][N+](=O)C=Cc1cc(Br)ccc1OC
NSC Number:
278623
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
256.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.071g/mol
Monoisotopic Mass:
256.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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