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98775-19-0 | 1-Bromo-2-methoxy-3-nitrobenzene
CAS No: 98775-19-0 Catalog No: AG003E3B MDL No:MFCD09261208
Product Description
Catalog Number:
AG003E3B
Chemical Name:
1-Bromo-2-methoxy-3-nitrobenzene
CAS Number:
98775-19-0
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
MDL Number:
MFCD09261208
IUPAC Name:
1-bromo-2-methoxy-3-nitrobenzene
InChI:
InChI=1S/C7H6BrNO3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,1H3
InChI Key:
YAYBLVOBUIXMQY-UHFFFAOYSA-N
SMILES:
COc1c(Br)cccc1[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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