4-Cyclopropylbenzonitrile

CAT: 0926-BAA12627-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-BAA12627-01Size:250 mg

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CAS Number

1126-27-8

MDL Number

MFCD06802400

Smiles

C1CC1C2=CC=C (C=C2) C#N

Molecular Formula

C10H9N

Molecular Weight

143.19 g/mol

Controlled

Chemical Information

4-Cyclopropylbenzonitrile

CAS Number	1126-27-8
PubChem CID	11332535
IUPAC Name	4-cyclopropylbenzonitrile
Molecular Formula	C10H9N
Molecular Weight	143.18
XLogP	2.6
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	176

SMILES

C1CC1C2=CC=C(C=C2)C#N

InChI

InChI=1S/C10H9N/c11-7-8-1-3-9(4-2-8)10-5-6-10/h1-4,10H,5-6H2

InChIKey

HJWMALLDRPONGB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1126-27-8

CID: 11332535

Formula: C10H9N

MW: 143.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	143.18
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	143.073499291
Monoisotopic Mass	143.073499291
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	176
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GQB89923-01	4-Amino-2-cyclopropylbenzonitrile
MGB52817-01	4-Amino-3-cyclopropylbenzonitrile
CMC27108-01	5-Amino-2-cyclopropylbenzonitrile
JXB85075-01	4,4,4-Trifluorobutanethioamide
FT77427	4,4,4-Trifluorovaline
AAA46134	4,4,4-Trifluorobutanamide
AAA40687	4,4,4-Trifluorobutanal
HCA98858-01	4- (4'-Bromophenyl) -4-hydroxypiperidine
FE60063-01	Ethyl 4,4,4-Trichloroacetoacetate
IC20325-01	4- (4-Chlorophenyl) -4-hydroxypiperidine

Catalog	Name
OR55667-01	4-Cyclopropylbenzonitrile
OR1002260	4-Amino-2-cyclopropylbenzonitrile
OR1101224-01	4-Bromo-2-cyclopropylbenzonitrile
OR1001546-01	4-Amino-3-cyclopropylbenzonitrile
OR318044-01	2-Cyclopropylbenzonitrile
OR1101225-01	5-Bromo-2-cyclopropylbenzonitrile
OR78528-01	2-Amino-5-cyclopropylbenzonitrile
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde