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88399-41-1 | Phosphonochloridic acid, (isocyanatophenylmethyl)-, ethyl ester, (S)-
CAS No: 88399-41-1 Catalog No: AG004L8N MDL No:
Product Description
Catalog Number:
AG004L8N
Chemical Name:
Phosphonochloridic acid, (isocyanatophenylmethyl)-, ethyl ester, (S)-
CAS Number:
88399-41-1
Molecular Formula:
C10H11ClNO3P
Molecular Weight:
259.6260
IUPAC Name:
[[chloro(ethoxy)phosphoryl]-isocyanatomethyl]benzene
InChI:
InChI=1S/C10H11ClNO3P/c1-2-15-16(11,14)10(12-8-13)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3
InChI Key:
BGXNQASCSIDFQF-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(c1ccccc1)N=C=O)Cl
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.017g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.626g/mol
Monoisotopic Mass:
259.017g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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