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18926-24-4 | Propanoyl isocyanate, 3-bromo-
CAS No: 18926-24-4 Catalog No: AG002I58 MDL No:MFCD00712156
Product Description
Catalog Number:
AG002I58
Chemical Name:
Propanoyl isocyanate, 3-bromo-
CAS Number:
18926-24-4
Molecular Formula:
C4H4BrNO2
Molecular Weight:
177.9841
MDL Number:
MFCD00712156
IUPAC Name:
3-bromopropanoyl isocyanate
InChI:
InChI=1S/C4H4BrNO2/c5-2-1-4(8)6-3-7/h1-2H2
InChI Key:
JZKAOWBNIUWMLP-UHFFFAOYSA-N
SMILES:
BrCCC(=O)N=C=O
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.943g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.985g/mol
Monoisotopic Mass:
176.943g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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