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19241-38-4 | Benzene, 4-bromo-1-isothiocyanato-2-methyl-
CAS No: 19241-38-4 Catalog No: AG002FYF MDL No:MFCD00041087
Product Description
Catalog Number:
AG002FYF
Chemical Name:
Benzene, 4-bromo-1-isothiocyanato-2-methyl-
CAS Number:
19241-38-4
Molecular Formula:
C8H6BrNS
Molecular Weight:
228.1089
MDL Number:
MFCD00041087
IUPAC Name:
4-bromo-1-isothiocyanato-2-methylbenzene
InChI:
InChI=1S/C8H6BrNS/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3
InChI Key:
YASXCQRGYJGIKD-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1C)Br
EC Number:
242-907-6
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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