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581812-65-9 | 1-Bromo-4-(2-isocyanatoethyl)benzene
CAS No: 581812-65-9 Catalog No: AG01FLQG MDL No:
Product Description
Catalog Number:
AG01FLQG
Chemical Name:
1-Bromo-4-(2-isocyanatoethyl)benzene
CAS Number:
581812-65-9
IUPAC Name:
1-bromo-4-(2-isocyanatoethyl)benzene
InChI:
InChI=1S/C9H8BrNO/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4H,5-6H2
InChI Key:
OJKQPPXUOKGDFT-UHFFFAOYSA-N
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.073g/mol
Monoisotopic Mass:
224.979g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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