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164033-11-8 | Benzene, [(1R)-1-isocyanatopropyl]-
CAS No: 164033-11-8 Catalog No: AG001ULC MDL No:MFCD05664135
Product Description
Catalog Number:
AG001ULC
Chemical Name:
Benzene, [(1R)-1-isocyanatopropyl]-
CAS Number:
164033-11-8
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD05664135
IUPAC Name:
[(1R)-1-isocyanatopropyl]benzene
InChI:
InChI=1S/C10H11NO/c1-2-10(11-8-12)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3/t10-/m1/s1
InChI Key:
XGPXXSJFZSZULR-SNVBAGLBSA-N
SMILES:
CC[C@H](c1ccccc1)N=C=O
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/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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