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Home > Bromides > 1208076-46-3
1208076-46-3 | 3-Bromo-2-methylphenylisothiocyanate
CAS No: 1208076-46-3 Catalog No: AG01FDF8 MDL No:MFCD12547769
Product Description
Catalog Number:
AG01FDF8
Chemical Name:
3-Bromo-2-methylphenylisothiocyanate
CAS Number:
1208076-46-3
Molecular Formula:
C8H6BrNS
Molecular Weight:
228.1089
MDL Number:
MFCD12547769
IUPAC Name:
1-bromo-3-isothiocyanato-2-methylbenzene
InChI:
InChI=1S/C8H6BrNS/c1-6-7(9)3-2-4-8(6)10-5-11/h2-4H,1H3
InChI Key:
GSTDQYZNPIOQRP-UHFFFAOYSA-N
SMILES:
Cc1c(cccc1Br)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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