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77337-82-7 | 2-Bromo-5-nitroanisole
CAS No: 77337-82-7 Catalog No: AG003GQ9 MDL No:MFCD00041250
Product Description
Catalog Number:
AG003GQ9
Chemical Name:
2-Bromo-5-nitroanisole
CAS Number:
77337-82-7
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
MDL Number:
MFCD00041250
IUPAC Name:
1-bromo-2-methoxy-4-nitrobenzene
InChI:
InChI=1S/C7H6BrNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3
InChI Key:
NTKADLOYTKVXQN-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1Br)[N+](=O)[O-]
EC Number:
278-669-5
NSC Number:
405572
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:
2.8
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