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Home > Bromides > 1199773-06-2
1199773-06-2 | Benzene, 1-bromo-3-[(2-methylpropyl)thio]-
CAS No: 1199773-06-2 Catalog No: AG000PWM MDL No:MFCD13195735
Product Description
Catalog Number:
AG000PWM
Chemical Name:
Benzene, 1-bromo-3-[(2-methylpropyl)thio]-
CAS Number:
1199773-06-2
Molecular Formula:
C10H13BrS
Molecular Weight:
245.1792
MDL Number:
MFCD13195735
IUPAC Name:
1-bromo-3-(2-methylpropylsulfanyl)benzene
InChI:
InChI=1S/C10H13BrS/c1-8(2)7-12-10-5-3-4-9(11)6-10/h3-6,8H,7H2,1-2H3
InChI Key:
YMZQKZSYYUVQLE-UHFFFAOYSA-N
SMILES:
CC(CSc1cccc(c1)Br)C
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.178g/mol
Monoisotopic Mass:
243.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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