Chemical ID: 3964464

C1COCCC1CBr
Chemical ID:
3964464
Name [?]:
4-(bromomethyl)tetrahydropyran
SMILES [?]:
C1COCCC1CBr
InChi [?]:
InChI=1/C6H11BrO/c7-5-6-1-3-8-4-2-6/h6H,1-5H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,7,6,8,3/E:(1,2)(3,4)/rA:8nCCOCCCCBr/rB:s1;s2;s3;s4;s1s5;s6;s7;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C6H11BrO
All Atoms:8
Heavy Atoms:8
Chiral Atoms:0
ZAP Information [?]
Total:4.92274
Area:275.47
Solvation:-1.96402
Coulombic:-8.25865
Bond Count [?]
All:8
Single:8
Double:0
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:179.055
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.86
LogP (Chemaxon):1.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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