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6934-98-1 | 1-(3,5-dibromo-2-hydroxybenzyl)urea
CAS No: 6934-98-1 Catalog No: AG006FUO MDL No:
Product Description
Catalog Number:
AG006FUO
Chemical Name:
1-(3,5-dibromo-2-hydroxybenzyl)urea
CAS Number:
6934-98-1
Molecular Formula:
C8H8Br2N2O2
Molecular Weight:
323.9693
IUPAC Name:
(3,5-dibromo-2-hydroxyphenyl)methylurea
InChI:
InChI=1S/C8H8Br2N2O2/c9-5-1-4(3-12-8(11)14)7(13)6(10)2-5/h1-2,13H,3H2,(H3,11,12,14)
InChI Key:
BOAZRFJRXMQOES-UHFFFAOYSA-N
SMILES:
NC(=O)NCc1cc(Br)cc(c1O)Br
NSC Number:
13330
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.893g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
323.972g/mol
Monoisotopic Mass:
321.895g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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