3-Bromo-5-cyclopropylaniline

CAT: 0127-OR48082-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR48082-01Size:250 mg

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CAS Number

1353855-73-8

MDL Number

MFCD21099990

Purity

=95%

Smiles

Nc1cc(Br)cc(c1)C2CC2

Storage Conditions

Store at -20°C

Chemical Information

3-Bromo-5-cyclopropylaniline

CAS Number	1353855-73-8
PubChem CID	66521008
IUPAC Name	3-bromo-5-cyclopropylaniline
Molecular Formula	C9H10BrN
Molecular Weight	212.09
XLogP	2.8
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	144

SMILES

C1CC1C2=CC(=CC(=C2)Br)N

InChI

InChI=1S/C9H10BrN/c10-8-3-7(6-1-2-6)4-9(11)5-8/h3-6H,1-2,11H2

InChIKey

HBKYNRXPLWQOGY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1353855-73-8

CID: 66521008

Formula: C9H10BrN

MW: 212.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.09
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	210.99966
Monoisotopic Mass	210.99966
Topological Polar Surface Area	26 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	144
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

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