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10172-36-8 | Benzene, 1,2-dibromo-5-methoxy-3-nitro-
CAS No: 10172-36-8 Catalog No: AG0005BC MDL No:MFCD00094478
Product Description
Catalog Number:
AG0005BC
Chemical Name:
Benzene, 1,2-dibromo-5-methoxy-3-nitro-
CAS Number:
10172-36-8
Molecular Formula:
C7H5Br2NO3
Molecular Weight:
310.9275
MDL Number:
MFCD00094478
IUPAC Name:
1,2-dibromo-5-methoxy-3-nitrobenzene
InChI:
InChI=1S/C7H5Br2NO3/c1-13-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,1H3
InChI Key:
PIVVFYZPCVAFMY-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c(c(c1)[N+](=O)[O-])Br
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.862g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.929g/mol
Monoisotopic Mass:
308.864g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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