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16618-67-0 | Benzene, 1-bromo-3-methoxy-5-nitro-
CAS No: 16618-67-0 Catalog No: AG001WJO MDL No:MFCD04112752
Product Description
Catalog Number:
AG001WJO
Chemical Name:
Benzene, 1-bromo-3-methoxy-5-nitro-
CAS Number:
16618-67-0
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
MDL Number:
MFCD04112752
IUPAC Name:
1-bromo-3-methoxy-5-nitrobenzene
InChI:
InChI=1S/C7H6BrNO3/c1-12-7-3-5(8)2-6(4-7)9(10)11/h2-4H,1H3
InChI Key:
MEQKSFQEPDRNEQ-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cc(c1)[N+](=O)[O-]
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.953g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.033g/mol
Monoisotopic Mass:
230.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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