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123312-22-1 | Benzenemethanamine, 4-chloro-α-cyclopropyl-
CAS No: 123312-22-1 Catalog No: AG000KBR MDL No:MFCD05191965
Product Description
Catalog Number:
AG000KBR
Chemical Name:
Benzenemethanamine, 4-chloro-α-cyclopropyl-
CAS Number:
123312-22-1
Molecular Formula:
C10H12ClN
Molecular Weight:
181.6620
MDL Number:
MFCD05191965
IUPAC Name:
(4-chlorophenyl)-cyclopropylmethanamine
InChI:
InChI=1S/C10H12ClN/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7,10H,1-2,12H2
InChI Key:
VOLXFYJGXYAYQP-UHFFFAOYSA-N
SMILES:
NC(c1ccc(cc1)Cl)C1CC1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.066g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.663g/mol
Monoisotopic Mass:
181.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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