Home Nitros 1-Bromo-4-methoxy-2,3-dinitrobenzene

1-Bromo-4-methoxy-2,3-dinitrobenzene

CAS No.:
860465-95-8
Catalog Number:
AG00IDVL
Molecular Formula:
C7H5BrN2O5
Molecular Weight:
277.0290
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Product Description
Catalog Number:
AG00IDVL
Chemical Name:
1-Bromo-4-methoxy-2,3-dinitrobenzene
CAS Number:
860465-95-8
Molecular Formula:
C7H5BrN2O5
Molecular Weight:
277.0290
MDL Number:
MFCD20484891
IUPAC Name:
1-bromo-4-methoxy-2,3-dinitrobenzene
InChI:
InChI=1S/C7H5BrN2O5/c1-15-5-3-2-4(8)6(9(11)12)7(5)10(13)14/h2-3H,1H3
InChI Key:
XFWBPNPOHJWYAY-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1[N+](=O)[O-])[N+](=O)[O-])Br
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.938g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.03g/mol
Monoisotopic Mass:
275.938g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties