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115440-10-3 | 1,2-Benzenediamine, 3-bromo-5-fluoro-
CAS No: 115440-10-3 Catalog No: AG000G0O MDL No:MFCD08741398
Product Description
Catalog Number:
AG000G0O
Chemical Name:
1,2-Benzenediamine, 3-bromo-5-fluoro-
CAS Number:
115440-10-3
Molecular Formula:
C6H6BrFN2
Molecular Weight:
205.0276
MDL Number:
MFCD08741398
IUPAC Name:
3-bromo-5-fluorobenzene-1,2-diamine
InChI:
InChI=1S/C6H6BrFN2/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,9-10H2
InChI Key:
VCINLTLIJKUOQC-UHFFFAOYSA-N
SMILES:
Fc1cc(N)c(c(c1)Br)N
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.97g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.03g/mol
Monoisotopic Mass:
203.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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