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21327-14-0 | 1-(3-Bromophenyl)thiourea
CAS No: 21327-14-0 Catalog No: AG003J4Z MDL No:MFCD00060440
Product Description
Catalog Number:
AG003J4Z
Chemical Name:
1-(3-Bromophenyl)thiourea
CAS Number:
21327-14-0
Molecular Formula:
C7H7BrN2S
Molecular Weight:
231.1129
MDL Number:
MFCD00060440
IUPAC Name:
(3-bromophenyl)thiourea
InChI:
InChI=1S/C7H7BrN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChI Key:
XBRVSIPVHYWULW-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1cccc(c1)Br
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.951g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.111g/mol
Monoisotopic Mass:
229.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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