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Home Halogens 3-chloro-4-[(pyrrolidin-1-yl)methyl]phenol hydrochloride

3-chloro-4-[(pyrrolidin-1-yl)methyl]phenol hydrochloride

CAS No.:
1909327-01-0
Catalog Number:
AG01C3QT
Molecular Formula:
C11H15Cl2NO
Molecular Weight:
248.1489
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Product Description
Catalog Number:
AG01C3QT
Chemical Name:
3-chloro-4-[(pyrrolidin-1-yl)methyl]phenol hydrochloride
CAS Number:
1909327-01-0
Molecular Formula:
C11H15Cl2NO
Molecular Weight:
248.1489
MDL Number:
MFCD29762853
IUPAC Name:
3-chloro-4-(pyrrolidin-1-ylmethyl)phenol;hydrochloride
InChI:
InChI=1S/C11H14ClNO.ClH/c12-11-7-10(14)4-3-9(11)8-13-5-1-2-6-13;/h3-4,7,14H,1-2,5-6,8H2;1H
InChI Key:
IJIVKXCOWPLRAG-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)Cl)CN1CCCC1.Cl
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.053g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
248.147g/mol
Monoisotopic Mass:
247.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties