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137575-62-3

137575-62-3 | 1,4-Butanediol, 1-(4-chlorophenyl)-

CAS No: 137575-62-3 Catalog No: AG0013L9 MDL No:

Product Description

Catalog Number:
AG0013L9
Chemical Name:
1,4-Butanediol, 1-(4-chlorophenyl)-
CAS Number:
137575-62-3
Molecular Formula:
C10H13ClO2
Molecular Weight:
200.6620
IUPAC Name:
1-(4-chlorophenyl)butane-1,4-diol
InChI:
InChI=1S/C10H13ClO2/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6,10,12-13H,1-2,7H2
InChI Key:
KZOPJGMADVWMKC-UHFFFAOYSA-N
SMILES:
OCCCC(c1ccc(cc1)Cl)O

Properties

Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.06g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
200.662g/mol
Monoisotopic Mass:
200.06g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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