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1233958-24-1 | 1-(3-Bromophenyl)-3-(piperidin-4-yl)ureahydrochloride
CAS No: 1233958-24-1 Catalog No: AG01ER6Q MDL No:
Product Description
Catalog Number:
AG01ER6Q
Chemical Name:
1-(3-Bromophenyl)-3-(piperidin-4-yl)ureahydrochloride
CAS Number:
1233958-24-1
Molecular Formula:
C12H17BrClN3O
Molecular Weight:
334.6399
IUPAC Name:
1-(3-bromophenyl)-3-piperidin-4-ylurea;hydrochloride
InChI:
InChI=1S/C12H16BrN3O.ClH/c13-9-2-1-3-11(8-9)16-12(17)15-10-4-6-14-7-5-10;/h1-3,8,10,14H,4-7H2,(H2,15,16,17);1H
InChI Key:
MROOZRIGXCAPHX-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)Br)NC1CCNCC1.Cl
Properties
Complexity:
256
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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