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1233955-50-4

1233955-50-4 | 1-(4-Bromophenyl)-3-(piperidin-4-yl)ureahydrochloride

CAS No: 1233955-50-4 Catalog No: AG01ER6H MDL No:

Product Description

Catalog Number:
AG01ER6H
Chemical Name:
1-(4-Bromophenyl)-3-(piperidin-4-yl)ureahydrochloride
CAS Number:
1233955-50-4
Molecular Formula:
C12H17BrClN3O
Molecular Weight:
334.6399
IUPAC Name:
1-(4-bromophenyl)-3-piperidin-4-ylurea;hydrochloride
InChI:
InChI=1S/C12H16BrN3O.ClH/c13-9-1-3-10(4-2-9)15-12(17)16-11-5-7-14-8-6-11;/h1-4,11,14H,5-8H2,(H2,15,16,17);1H
InChI Key:
LHYMZMIJNQSVFW-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Br)NC1CCNCC1.Cl

Properties

Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.024g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
334.642g/mol
Monoisotopic Mass:
333.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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