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70277-99-5 | 2-bromo-3,5-dimethoxyaniline
CAS No: 70277-99-5 Catalog No: AG01EX16 MDL No:
Product Description
Catalog Number:
AG01EX16
Chemical Name:
2-bromo-3,5-dimethoxyaniline
CAS Number:
70277-99-5
Molecular Formula:
C8H10BrNO2
Molecular Weight:
232.0745
IUPAC Name:
2-bromo-3,5-dimethoxyaniline
InChI:
InChI=1S/C8H10BrNO2/c1-11-5-3-6(10)8(9)7(4-5)12-2/h3-4H,10H2,1-2H3
InChI Key:
XVEXDSJIDAIIAP-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c(c1)N)Br
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.989g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.077g/mol
Monoisotopic Mass:
230.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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