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13037-60-0 | Benzene, 1-bromo-2-isothiocyanato-
CAS No: 13037-60-0 Catalog No: AG000UBS MDL No:MFCD00004799
Product Description
Catalog Number:
AG000UBS
Chemical Name:
Benzene, 1-bromo-2-isothiocyanato-
CAS Number:
13037-60-0
Molecular Formula:
C7H4BrNS
Molecular Weight:
214.0824
MDL Number:
MFCD00004799
IUPAC Name:
1-bromo-2-isothiocyanatobenzene
InChI:
InChI=1S/C7H4BrNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChI Key:
PAFORXDSYWMYGP-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccccc1Br
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.925g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.08g/mol
Monoisotopic Mass:
212.925g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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