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201403-02-3 | Benzeneethanol, β-amino-4-bromo-
CAS No: 201403-02-3 Catalog No: AG002DDU MDL No:MFCD12782005
Product Description
Catalog Number:
AG002DDU
Chemical Name:
Benzeneethanol, β-amino-4-bromo-
CAS Number:
201403-02-3
Molecular Formula:
C8H10BrNO
Molecular Weight:
216.0751
MDL Number:
MFCD12782005
IUPAC Name:
2-amino-2-(4-bromophenyl)ethanol
InChI:
InChI=1S/C8H10BrNO/c9-7-3-1-6(2-4-7)8(10)5-11/h1-4,8,11H,5,10H2
InChI Key:
KTNHFPRYCCCOQV-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(cc1)Br)N
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.995g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.078g/mol
Monoisotopic Mass:
214.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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