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302912-23-8 | Benzene, 1-bromo-4-(isocyanatomethyl)-
CAS No: 302912-23-8 Catalog No: AG002ZIH MDL No:
Product Description
Catalog Number:
AG002ZIH
Chemical Name:
Benzene, 1-bromo-4-(isocyanatomethyl)-
CAS Number:
302912-23-8
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
IUPAC Name:
1-bromo-4-(isocyanatomethyl)benzene
InChI:
InChI=1S/C8H6BrNO/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
InChI Key:
IXWMDGLNJQNMIO-UHFFFAOYSA-N
SMILES:
O=C=NCc1ccc(cc1)Br
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.963g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.046g/mol
Monoisotopic Mass:
210.963g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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