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148854-09-5 | Benzene, 1-bromo-3-isocyano-
CAS No: 148854-09-5 Catalog No: AG001L8I MDL No:
Product Description
Catalog Number:
AG001L8I
Chemical Name:
Benzene, 1-bromo-3-isocyano-
CAS Number:
148854-09-5
Molecular Formula:
C7H4BrN
Molecular Weight:
182.0174
IUPAC Name:
1-bromo-3-isocyanobenzene
InChI:
InChI=1S/C7H4BrN/c1-9-7-4-2-3-6(8)5-7/h2-5H
InChI Key:
LUQVPCLLSIQPHU-UHFFFAOYSA-N
SMILES:
[C-]#[N+]c1cccc(c1)Br
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.953g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.02g/mol
Monoisotopic Mass:
180.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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