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246166-33-6 | Benzene, 2-bromo-1-isothiocyanato-4-(1-methylethyl)-
CAS No: 246166-33-6 Catalog No: AG002OS9 MDL No:MFCD01313223
Product Description
Catalog Number:
AG002OS9
Chemical Name:
Benzene, 2-bromo-1-isothiocyanato-4-(1-methylethyl)-
CAS Number:
246166-33-6
Molecular Formula:
C10H10BrNS
Molecular Weight:
256.1621
MDL Number:
MFCD01313223
IUPAC Name:
2-bromo-1-isothiocyanato-4-propan-2-ylbenzene
InChI:
InChI=1S/C10H10BrNS/c1-7(2)8-3-4-10(12-6-13)9(11)5-8/h3-5,7H,1-2H3
InChI Key:
HEMKZBSGCAZNJG-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1Br)C(C)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.972g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.161g/mol
Monoisotopic Mass:
254.972g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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