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Home > Bromides > 1805469-84-4
1805469-84-4 | Benzene, 1-bromo-2-methoxy-4-methyl-3-nitro-
CAS No: 1805469-84-4 Catalog No: AG00222R MDL No:MFCD28745058
Product Description
Catalog Number:
AG00222R
Chemical Name:
Benzene, 1-bromo-2-methoxy-4-methyl-3-nitro-
CAS Number:
1805469-84-4
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
MDL Number:
MFCD28745058
IUPAC Name:
1-bromo-2-methoxy-4-methyl-3-nitrobenzene
InChI:
InChI=1S/C8H8BrNO3/c1-5-3-4-6(9)8(13-2)7(5)10(11)12/h3-4H,1-2H3
InChI Key:
ACAOIEWKLJOSPX-UHFFFAOYSA-N
SMILES:
COc1c(Br)ccc(c1[N+](=O)[O-])C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.06g/mol
Monoisotopic Mass:
244.969g/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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