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155863-32-4 | Benzene, 1-(bromomethyl)-4-isothiocyanato-
CAS No: 155863-32-4 Catalog No: AG001OB1 MDL No:MFCD08702661
Product Description
Catalog Number:
AG001OB1
Chemical Name:
Benzene, 1-(bromomethyl)-4-isothiocyanato-
CAS Number:
155863-32-4
Molecular Formula:
C8H6BrNS
Molecular Weight:
228.1089
MDL Number:
MFCD08702661
IUPAC Name:
1-(bromomethyl)-4-isothiocyanatobenzene
InChI:
InChI=1S/C8H6BrNS/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,5H2
InChI Key:
NSQGUALFBVTBHL-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)N=C=S
Properties
Complexity:
158
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:
2
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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