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1263377-78-1 | 4-(4-Bromo-2,3-dichlorophenyl)thiosemicarbazide
CAS No: 1263377-78-1 Catalog No: AG01F9SM MDL No:MFCD18379843
Product Description
Catalog Number:
AG01F9SM
Chemical Name:
4-(4-Bromo-2,3-dichlorophenyl)thiosemicarbazide
CAS Number:
1263377-78-1
Molecular Formula:
C7H6BrCl2N3S
Molecular Weight:
315.0176
MDL Number:
MFCD18379843
IUPAC Name:
1-amino-3-(4-bromo-2,3-dichlorophenyl)thiourea
InChI:
InChI=1S/C7H6BrCl2N3S/c8-3-1-2-4(6(10)5(3)9)12-7(14)13-11/h1-2H,11H2,(H2,12,13,14)
InChI Key:
WBFLNJWNBLCRKZ-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1ccc(c(c1Cl)Cl)Br
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.884g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
315.01g/mol
Monoisotopic Mass:
312.884g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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