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1967-25-5

1967-25-5 | 1-(4-Bromophenyl);urea

CAS No: 1967-25-5 Catalog No: AG003L13 MDL No:MFCD00025428

Product Description

Catalog Number:
AG003L13
Chemical Name:
1-(4-Bromophenyl);urea
CAS Number:
1967-25-5
Molecular Formula:
C7H7BrN2O
Molecular Weight:
215.0473
MDL Number:
MFCD00025428
IUPAC Name:
(4-bromophenyl)urea
InChI:
InChI=1S/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChI Key:
PFQUUCXMPUNRLA-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1ccc(cc1)Br
UNII:
N4K2D5WZSI

Properties

Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.974g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.05g/mol
Monoisotopic Mass:
213.974g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Literature

Title Journal
N-(4-Bromo-phen-yl)urea. Acta crystallographica. Section E, Structure reports online 20101101

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