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1896028-99-1 | 5-(4-bromophenyl)pyrrolidin-3-ol hydrochloride
CAS No: 1896028-99-1 Catalog No: AG01EMJB MDL No:
Product Description
Catalog Number:
AG01EMJB
Chemical Name:
5-(4-bromophenyl)pyrrolidin-3-ol hydrochloride
CAS Number:
1896028-99-1
Molecular Formula:
C10H13BrClNO
Molecular Weight:
278.5733
IUPAC Name:
5-(4-bromophenyl)pyrrolidin-3-ol;hydrochloride
InChI:
InChI=1S/C10H12BrNO.ClH/c11-8-3-1-7(2-4-8)10-5-9(13)6-12-10;/h1-4,9-10,12-13H,5-6H2;1H
InChI Key:
MQGWZEJUKDVWGZ-UHFFFAOYSA-N
SMILES:
OC1CNC(C1)c1ccc(cc1)Br.Cl
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.987g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.574g/mol
Monoisotopic Mass:
276.987g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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