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2646-30-2 | Thiourea, N-(4-bromophenyl)-
CAS No: 2646-30-2 Catalog No: AG002TB5 MDL No:MFCD00041176
Product Description
Catalog Number:
AG002TB5
Chemical Name:
Thiourea, N-(4-bromophenyl)-
CAS Number:
2646-30-2
Molecular Formula:
C7H7BrN2S
Molecular Weight:
231.1129
MDL Number:
MFCD00041176
IUPAC Name:
(4-bromophenyl)thiourea
InChI:
InChI=1S/C7H7BrN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChI Key:
MRVQULNOKCOGHC-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccc(cc1)Br
UNII:
M3NQV0N54T
RTECS Number:
YS3500000
Properties
Complexity:
143
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:
2.6
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