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16582-78-8 | 3-Bromo-4-thiocyanatoaniline
CAS No: 16582-78-8 Catalog No: AG003J2E MDL No:MFCD11855822
Product Description
Catalog Number:
AG003J2E
Chemical Name:
3-Bromo-4-thiocyanatoaniline
CAS Number:
16582-78-8
Molecular Formula:
C7H5BrN2S
Molecular Weight:
229.0970
MDL Number:
MFCD11855822
IUPAC Name:
(4-amino-2-bromophenyl) thiocyanate
InChI:
InChI=1S/C7H5BrN2S/c8-6-3-5(10)1-2-7(6)11-4-9/h1-3H,10H2
InChI Key:
WPPDBNWAJPCNEU-UHFFFAOYSA-N
SMILES:
N#CSc1ccc(cc1Br)N
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.936g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.095g/mol
Monoisotopic Mass:
227.936g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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