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70919-01-6 | 1H-1,3,2-Benzodiazaphosphole, 1-(1-methylethyl)-
CAS No: 70919-01-6 Catalog No: AG005FL7 MDL No:
Product Description
Catalog Number:
AG005FL7
Chemical Name:
1H-1,3,2-Benzodiazaphosphole, 1-(1-methylethyl)-
CAS Number:
70919-01-6
Molecular Formula:
C9H12N2P
Molecular Weight:
179.1787
IUPAC Name:
1-propan-2-yl-1,3,2-benzodiazaphosphole
InChI:
InChI=1S/C9H11N2P/c1-7(2)11-9-6-4-3-5-8(9)10-12-11/h3-7H,1-2H3
InChI Key:
GPIFSMYKIMCIJF-UHFFFAOYSA-N
SMILES:
CC(N1P=Nc2c1cccc2)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.066g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.175g/mol
Monoisotopic Mass:
178.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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