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3336-16-1 | 2-Chloro-4-hydroxybenzonitrile
CAS No: 3336-16-1 Catalog No: AG00337Y MDL No:MFCD00052185
Product Description
Catalog Number:
AG00337Y
Chemical Name:
2-Chloro-4-hydroxybenzonitrile
CAS Number:
3336-16-1
Molecular Formula:
C7H4ClNO
Molecular Weight:
153.5658
MDL Number:
MFCD00052185
IUPAC Name:
2-chloro-4-hydroxybenzonitrile
InChI:
InChI=1S/C7H4ClNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H
InChI Key:
BDDVAWDNVWLHDQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1Cl)O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.998g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.565g/mol
Monoisotopic Mass:
152.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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