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118398-74-6 | 1H-Phosphirene, 1-chloro-2-(1,1-dimethylethyl)-3-methoxy-
CAS No: 118398-74-6 Catalog No: AG000IR6 MDL No:
Product Description
Catalog Number:
AG000IR6
Chemical Name:
1H-Phosphirene, 1-chloro-2-(1,1-dimethylethyl)-3-methoxy-
CAS Number:
118398-74-6
Molecular Formula:
C7H12ClOP
Molecular Weight:
178.5963
IUPAC Name:
2-tert-butyl-1-chloro-3-methoxyphosphirene
InChI:
InChI=1S/C7H12ClOP/c1-7(2,3)5-6(9-4)10(5)8/h1-4H3
InChI Key:
TXSSIZKJZXSNCN-UHFFFAOYSA-N
SMILES:
COC1=C(P1Cl)C(C)(C)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.031g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.596g/mol
Monoisotopic Mass:
178.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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