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51039-84-0 | 1-(2-Nitrophenyl)thiourea
CAS No: 51039-84-0 Catalog No: AG003CVI MDL No:MFCD00041237
Product Description
Catalog Number:
AG003CVI
Chemical Name:
1-(2-Nitrophenyl)thiourea
CAS Number:
51039-84-0
Molecular Formula:
C7H7N3O2S
Molecular Weight:
197.2144
MDL Number:
MFCD00041237
IUPAC Name:
(2-nitrophenyl)thiourea
InChI:
InChI=1S/C7H7N3O2S/c8-7(13)9-5-3-1-2-4-6(5)10(11)12/h1-4H,(H3,8,9,13)
InChI Key:
FLGZBEKWHFRZNP-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccccc1[N+](=O)[O-]
NSC Number:
207834
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.212g/mol
Monoisotopic Mass:
197.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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