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140682-60-6 | Benzene, 5-(bromomethyl)-2-isocyanato-1,3-dimethyl-
CAS No: 140682-60-6 Catalog No: AG001CP9 MDL No:
Product Description
Catalog Number:
AG001CP9
Chemical Name:
Benzene, 5-(bromomethyl)-2-isocyanato-1,3-dimethyl-
CAS Number:
140682-60-6
Molecular Formula:
C10H10BrNO
Molecular Weight:
240.0965
IUPAC Name:
5-(bromomethyl)-2-isocyanato-1,3-dimethylbenzene
InChI:
InChI=1S/C10H10BrNO/c1-7-3-9(5-11)4-8(2)10(7)12-6-13/h3-4H,5H2,1-2H3
InChI Key:
SYMYVASXTQJRGQ-UHFFFAOYSA-N
SMILES:
BrCc1cc(C)c(c(c1)C)N=C=O
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.995g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.1g/mol
Monoisotopic Mass:
238.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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