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1137869-95-4 | Benzenamine, 4-bromo-3-fluoro-2-methoxy-
CAS No: 1137869-95-4 Catalog No: AG0009NQ MDL No:
Product Description
Catalog Number:
AG0009NQ
Chemical Name:
Benzenamine, 4-bromo-3-fluoro-2-methoxy-
CAS Number:
1137869-95-4
Molecular Formula:
C7H7BrFNO
Molecular Weight:
220.0390
IUPAC Name:
4-bromo-3-fluoro-2-methoxyaniline
InChI:
InChI=1S/C7H7BrFNO/c1-11-7-5(10)3-2-4(8)6(7)9/h2-3H,10H2,1H3
InChI Key:
QMPCIJTZHLTURH-UHFFFAOYSA-N
SMILES:
COc1c(N)ccc(c1F)Br
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.97g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.041g/mol
Monoisotopic Mass:
218.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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