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1259952-25-4 | 1H-Inden-1-ol, 2-amino-7-bromo-2,3-dihydro-, hydrochloride (1:1)
CAS No: 1259952-25-4 Catalog No: AG000QNB MDL No:
Product Description
Catalog Number:
AG000QNB
Chemical Name:
1H-Inden-1-ol, 2-amino-7-bromo-2,3-dihydro-, hydrochloride (1:1)
CAS Number:
1259952-25-4
Molecular Formula:
C9H11BrClNO
Molecular Weight:
264.5467
IUPAC Name:
2-amino-7-bromo-2,3-dihydro-1H-inden-1-ol;hydrochloride
InChI:
InChI=1S/C9H10BrNO.ClH/c10-6-3-1-2-5-4-7(11)9(12)8(5)6;/h1-3,7,9,12H,4,11H2;1H
InChI Key:
PLXKSEAWMLSNQR-UHFFFAOYSA-N
SMILES:
NC1Cc2c(C1O)c(Br)ccc2.Cl
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.971g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
264.547g/mol
Monoisotopic Mass:
262.971g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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