Home Other Building Blocks ALPHA-CHLORO-3,5,7-TRIMETHYL-1-ADAMANTANEACETIC ACID

ALPHA-CHLORO-3,5,7-TRIMETHYL-1-ADAMANTANEACETIC ACID

CAS No.:
16668-45-4
Catalog Number:
AG00AQOI
Molecular Formula:
C15H23ClO2
Molecular Weight:
270.7949
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Product Description
Catalog Number:
AG00AQOI
Chemical Name:
ALPHA-CHLORO-3,5,7-TRIMETHYL-1-ADAMANTANEACETIC ACID
CAS Number:
16668-45-4
Molecular Formula:
C15H23ClO2
Molecular Weight:
270.7949
MDL Number:
MFCD00154388
IUPAC Name:
2-chloro-2-(3,5,7-trimethyl-1-adamantyl)acetic acid
InChI:
InChI=1S/C15H23ClO2/c1-12-4-13(2)6-14(3,5-12)9-15(7-12,8-13)10(16)11(17)18/h10H,4-9H2,1-3H3,(H,17,18)
InChI Key:
AIPDCMZNOXKOBM-UHFFFAOYSA-N
SMILES:
ClC(C12CC3(C)CC(C2)(CC(C1)(C3)C)C)C(=O)O
NSC Number:
119925
Properties
Complexity:
357  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.139g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
270.797g/mol
Monoisotopic Mass:
270.139g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties