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16750-67-7 | Phenol, 4-amino-2-bromo-
CAS No: 16750-67-7 Catalog No: AG001XFM MDL No:MFCD06656565
Product Description
Catalog Number:
AG001XFM
Chemical Name:
Phenol, 4-amino-2-bromo-
CAS Number:
16750-67-7
Molecular Formula:
C6H6BrNO
Molecular Weight:
188.0219
MDL Number:
MFCD06656565
IUPAC Name:
4-amino-2-bromophenol
InChI:
InChI=1S/C6H6BrNO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2
InChI Key:
CBQJZWGBFZAUEV-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)Br)O
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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