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78407-19-9 | Benzene, [(2-isocyanatoethoxy)methyl]-
CAS No: 78407-19-9 Catalog No: AG005BEB MDL No:
Product Description
Catalog Number:
AG005BEB
Chemical Name:
Benzene, [(2-isocyanatoethoxy)methyl]-
CAS Number:
78407-19-9
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
2-isocyanatoethoxymethylbenzene
InChI:
InChI=1S/C10H11NO2/c12-9-11-6-7-13-8-10-4-2-1-3-5-10/h1-5H,6-8H2
InChI Key:
PKNRMJJCVUBNTM-UHFFFAOYSA-N
SMILES:
O=C=NCCOCc1ccccc1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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