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102434-37-7 | Urea, N-(2-bromoethyl)-N'-[2-(trifluoromethyl)phenyl]-
CAS No: 102434-37-7 Catalog No: AG0007I8 MDL No:
Product Description
Catalog Number:
AG0007I8
Chemical Name:
Urea, N-(2-bromoethyl)-N'-[2-(trifluoromethyl)phenyl]-
CAS Number:
102434-37-7
Molecular Formula:
C10H10BrF3N2O
Molecular Weight:
311.0984
IUPAC Name:
1-(2-bromoethyl)-3-[2-(trifluoromethyl)phenyl]urea
InChI:
InChI=1S/C10H10BrF3N2O/c11-5-6-15-9(17)16-8-4-2-1-3-7(8)10(12,13)14/h1-4H,5-6H2,(H2,15,16,17)
InChI Key:
CZRXJQKEIFLDHC-UHFFFAOYSA-N
SMILES:
BrCCNC(=O)Nc1ccccc1C(F)(F)F
NSC Number:
160074
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.993g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.102g/mol
Monoisotopic Mass:
309.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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