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1029634-54-5 | 3-Chloro-5-methoxyphenylisocyanide
CAS No: 1029634-54-5 Catalog No: AG01FE1C MDL No:MFCD06798048
Product Description
Catalog Number:
AG01FE1C
Chemical Name:
3-Chloro-5-methoxyphenylisocyanide
CAS Number:
1029634-54-5
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD06798048
IUPAC Name:
1-chloro-3-isocyano-5-methoxybenzene
InChI:
InChI=1S/C8H6ClNO/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,2H3
InChI Key:
TUGQADSTBKNMTR-UHFFFAOYSA-N
SMILES:
COc1cc([N+]#[C-])cc(c1)Cl
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.014g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.592g/mol
Monoisotopic Mass:
167.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
13.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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