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Benzal Chloride

CAT: 0926-FB138878-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FB138878-01Size:100 g
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CAS Number
98-87-3
Synonyms
α, α-Dichlorotoluene
MDL Number
MFCD00000829
Smiles
C1=CC=C (C=C1) C (Cl) Cl
Molecular Formula
C7H6Cl2
Molecular Weight
161.03 g/mol
Controlled
No

Chemical Information

Benzal chloride

Benzal chloride is a member of benzenes.

CAS Number98-87-3
PubChem CID7411
IUPAC Namedichloromethylbenzene
Molecular FormulaC7H6Cl2
Molecular Weight161.03
XLogP3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity75
SMILES
C1=CC=C(C=C1)C(Cl)Cl
InChI
InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
InChIKey
CAHQGWAXKLQREW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzal chloride
CAS: 98-87-3
CID: 7411
Formula: C7H6Cl2
MW: 161.03
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight161.03
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass159.9846556
Monoisotopic Mass159.9846556
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity75
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes