2,3-Dichloro-1-propanol

CAT: 0127-OR1044246-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1044246-01Size:5 g

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CAS Number

616-23-9

Synonyms

2,3-dichloropropan-1-ol

MDL Number

MFCD00040446

Purity

98%

Smiles

OCC(CCl)Cl

Chemical Information

(+-)-2,3-Dichloro-1-propanol

2,3-dichloro-1-propanol is a viscous colorless to amber liquid with an ethereal odor. (NTP, 1992)

CAS Number	616-23-9
PubChem CID	12018
IUPAC Name	2,3-dichloropropan-1-ol
Molecular Formula	C3H6Cl2O
Molecular Weight	128.98
XLogP	0.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	32

SMILES

C(C(CCl)Cl)O

InChI

InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2

InChIKey

ZXCYIJGIGSDJQQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 616-23-9

CID: 12018

Formula: C3H6Cl2O

MW: 128.98

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.98
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	127.9795702
Monoisotopic Mass	127.9795702
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	32
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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