3-Methylpentyl carbonochloridate

CAT: 0127-OR1074172-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1074172-01Size:250 mg

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CAS Number

1215109-09-3

MDL Number

MFCD31568286

Purity

98%

Smiles

O=C(Cl)OCCC(C)CC

Chemical Information

3-Methylpentyl Chloroformate

CAS Number	1215109-09-3
PubChem CID	22026204
IUPAC Name	3-methylpentyl carbonochloridate
Molecular Formula	C7H13ClO2
Molecular Weight	164.63
XLogP	3.4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	104

SMILES

CCC(C)CCOC(=O)Cl

InChI

InChI=1S/C7H13ClO2/c1-3-6(2)4-5-10-7(8)9/h6H,3-5H2,1-2H3

InChIKey

ZSEUJMFAOMCZEP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1215109-09-3

CID: 22026204

Formula: C7H13ClO2

MW: 164.63

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.63
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	164.0604073
Monoisotopic Mass	164.0604073
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	104
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

Catalog	Name
OR1053894-01	2-Methylpentyl carbonochloridate
OR1047202-01	Hexan-3-yl carbonochloridate
OR1057689-01	Tetrahydrofuran-3-yl carbonochloridate
OR1023602-01	Decyl Carbonochloridate
OR1030938	Cyclohexyl Carbonochloridate
OR1061542-01	Cyclopropyl carbonochloridate
OR1046105-01	But-3-yn-1-yl carbonochloridate
OR921375-01	3-Methylpentyl acetate
OR1004416	2-Phenoxyethyl carbonochloridate
OR1025199	2-Methoxyethyl Carbonochloridate

Catalog	Name
AR-D01037-01	3-methylpentyl carbonochloridate
RG-M200843-01	4-Methylpentyl Carbonochloridate
RG-A261342-01	3-Nitrophenyl Carbonochloridate
TCA62207-01	3-Fluorophenyl carbonochloridate
AR-D01043-01	Hexan-3-yl carbonochloridate
AR-D01039-01	2,3-dimethylbutyl carbonochloridate
JH918637	(3,5-Dimethoxyphenyl) methyl carbonochloridate
ARB49574-01	2,2,3,3,3-Pentafluoropropyl carbonochloridate
267698-01	Cholest-5-en-3-ol (3b) -, 3- (carbonochloridate)
TRC-A795390-50MG	(3S)-1-Azabicyclo[2.2.2]octan-3-carbonochloridate