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31125-04-9 | Benzenamine, 3-isocyanato-N,N-dimethyl-
CAS No: 31125-04-9 Catalog No: AG00326R MDL No:
Product Description
Catalog Number:
AG00326R
Chemical Name:
Benzenamine, 3-isocyanato-N,N-dimethyl-
CAS Number:
31125-04-9
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
IUPAC Name:
3-isocyanato-N,N-dimethylaniline
InChI:
InChI=1S/C9H10N2O/c1-11(2)9-5-3-4-8(6-9)10-7-12/h3-6H,1-2H3
InChI Key:
QEEHTQPUAUULOU-UHFFFAOYSA-N
SMILES:
O=C=Nc1cccc(c1)N(C)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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