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74440-80-5 | 4-Amino-3-bromophenol
CAS No: 74440-80-5 Catalog No: AG0036J2 MDL No:MFCD09966089
Product Description
Catalog Number:
AG0036J2
Chemical Name:
4-Amino-3-bromophenol
CAS Number:
74440-80-5
Molecular Formula:
C6H6BrNO
Molecular Weight:
188.0219
MDL Number:
MFCD09966089
IUPAC Name:
4-amino-3-bromophenol
InChI:
InChI=1S/C6H6BrNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
InChI Key:
JIRZAMLWKLMYLD-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)Br)N
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.963g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.024g/mol
Monoisotopic Mass:
186.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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