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100367-37-1 | Phenol, 3-amino-4-bromo-
CAS No: 100367-37-1 Catalog No: AG0001PL MDL No:MFCD09260886
Product Description
Catalog Number:
AG0001PL
Chemical Name:
Phenol, 3-amino-4-bromo-
CAS Number:
100367-37-1
Molecular Formula:
C6H6BrNO
Molecular Weight:
188.0219
MDL Number:
MFCD09260886
IUPAC Name:
3-amino-4-bromophenol
InChI:
InChI=1S/C6H6BrNO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H,8H2
InChI Key:
JJNOHJJIVAVDLP-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)N)Br
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:
1.8
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