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1021871-35-1 | Benzonitrile, 3-chloro-5-(hydroxymethyl)-
CAS No: 1021871-35-1 Catalog No: AG0006UL MDL No:MFCD18392447
Product Description
Catalog Number:
AG0006UL
Chemical Name:
Benzonitrile, 3-chloro-5-(hydroxymethyl)-
CAS Number:
1021871-35-1
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD18392447
IUPAC Name:
3-chloro-5-(hydroxymethyl)benzonitrile
InChI:
InChI=1S/C8H6ClNO/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,11H,5H2
InChI Key:
XNOWXYQLTYKTNC-UHFFFAOYSA-N
SMILES:
OCc1cc(C#N)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:
1
Isotope Atom Count:
0
Molecular Weight:
167.592g/mol
Monoisotopic Mass:
167.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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