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Home > Bromides > 1208076-05-4
1208076-05-4 | 2-Bromo-3-methylphenylisothiocyanate
CAS No: 1208076-05-4 Catalog No: AG01FDF6 MDL No:MFCD12547772
Product Description
Catalog Number:
AG01FDF6
Chemical Name:
2-Bromo-3-methylphenylisothiocyanate
CAS Number:
1208076-05-4
Molecular Formula:
C8H6BrNS
Molecular Weight:
228.1089
MDL Number:
MFCD12547772
IUPAC Name:
2-bromo-1-isothiocyanato-3-methylbenzene
InChI:
InChI=1S/C8H6BrNS/c1-6-3-2-4-7(8(6)9)10-5-11/h2-4H,1H3
InChI Key:
WPHXXQKNTKBKSF-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1Br)N=C=S
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.94g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.107g/mol
Monoisotopic Mass:
226.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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