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54132-75-1 | 3,5-Dimethylphenyl Isocyanate
CAS No: 54132-75-1 Catalog No: AG003IP2 MDL No:MFCD00013868
Product Description
Catalog Number:
AG003IP2
Chemical Name:
3,5-Dimethylphenyl Isocyanate
CAS Number:
54132-75-1
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00013868
IUPAC Name:
1-isocyanato-3,5-dimethylbenzene
InChI:
InChI=1S/C9H9NO/c1-7-3-8(2)5-9(4-7)10-6-11/h3-5H,1-2H3
InChI Key:
DZSGDHNHQAJZCO-UHFFFAOYSA-N
SMILES:
O=C=Nc1cc(C)cc(c1)C
EC Number:
258-987-0
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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